Primary record
XWJBFQVTBRXNSH-UHFFFAOYSA-N
- CAS
- 100827-76-7
- PubChem CID
- 13670761
- SMILES
- CCOC(=O)C(CC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl)C(=O)OCC
- Molecular Formula
- C19H20ClNO5S
- Molecular Weight
- 409.891
- Exact Mass
- 409.0751
- InChI
- InChI=1S/C19H20ClNO5S/c1-3-25-18(23)14(19(24)26-4-2)10-11-9-13(17(21)27-11)16(22)12-7-5-6-8-15(12)20/h5-9,14H,3-4,10,21H2,1-2H3
- InChIKey
- XWJBFQVTBRXNSH-UHFFFAOYSA-N
- LogP
- 3.4996
- TPSA
- 95.69
Names and synonyms
- SCHEMBL8691598
- XWJBFQVTBRXNSH-UHFFFAOYSA-N
- AKOS000278829
- 2-amino-3-(2-chlorobenzoyl)-6-(2-dicarbethoxyethyl)thiophene
- Diethyl 2-(5-amino-4-(2-chlorobenzoyl)thiophen-2-ylmethyl)malonate
- diethyl 2-[[5-amino-4-(2-chlorobenzoyl)-thien-2-yl]methyl]malonate
- 100827-76-7