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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20ClNO3S2 MolecularWeight: 397.9393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C18H20ClNO3S2/c1-11-12(2)25-17(16(11)18(22)23-3)20-15(21)5-4-10-24-14-8-6-13(19)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,20,21)