ethyl 4-(4-chlorophenyl)-2-[2-(2-hydroxyethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(2-hydroxyethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-(2-hydroxyethylthio)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(2-hydroxyethylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSCCO

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSCCO

InChI

InChI=1S/C17H18ClNO4S2/c1-2-23-17(22)15-13(11-3-5-12(18)6-4-11)9-25-16(15)19-14(21)10-24-8-7-20/h3-6,9,20H,2,7-8,10H2,1H3,(H,19,21)