methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]thiophene-3-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H16ClNO3S2 MolecularWeight: 369.88614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClNO3S2/c1-21-16(20)13-8-10-23-15(13)18-14(19)3-2-9-22-12-6-4-11(17)5-7-12/h4-8,10H,2-3,9H2,1H3,(H,18,19)