Primary record
AC1MJR7F
- CAS
- 330561-21-2
- PubChem CID
- 3096523
- SMILES
- CC1=C2C(=CC=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])(C)C
- Molecular Formula
- C27H24N2O7S3
- Molecular Weight
- 584.697
- Exact Mass
- 584.0746
- InChI
- InChI=1S/C27H24N2O7S3/c1-13-10-11-15(12-17(13)29(33)34)23(30)28-19-14(2)8-7-9-16(19)18(22(37)27(28,3)4)26-38-20(24(31)35-5)21(39-26)25(32)36-6/h7-12H,1-6H3
- InChIKey
- OPXQJMHEFMSZQO-UHFFFAOYSA-N
- LogP
- 5.7267
- TPSA
- 116.05
Names and synonyms
- AC1MJR7F
- OPXQJMHEFMSZQO-UHFFFAOYSA-N
- ZINC8399004
- BAS 00268326
- CID3096523
- AG-690/34649049
- dimethyl 2-(1-{3-nitro-4-methylbenzoyl}-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 330561-21-2
- dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate