methyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]benzoate Openeye Name: methyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(4-chlorophenyl)thio]butanoylamino]benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-3-16(24-15-10-6-13(19)7-11-15)17(21)20-14-8-4-12(5-9-14)18(22)23-2/h4-11,16H,3H2,1-2H3,(H,20,21)