ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22ClNO3S2 MolecularWeight: 411.96588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClNO3S2/c1-4-24-19(23)17-12(2)13(3)26-18(17)21-16(22)6-5-11-25-15-9-7-14(20)8-10-15/h7-10H,4-6,11H2,1-3H3,(H,21,22)