methyl 3-(butanoylamino)-4-(4-chlorophenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-(butanoylamino)-4-(4-chlorophenyl)sulfanyl-benzoate Openeye Name: methyl 3-(butanoylamino)-4-(4-chlorophenyl)sulfanyl-benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-(1-oxobutylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(butanoylamino)-4-(4-chlorophenyl)sulfanylbenzoate Traditional Name: 3-butyramido-4-[(4-chlorophenyl)thio]benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3S/c1-3-4-17(21)20-15-11-12(18(22)23-2)5-10-16(15)24-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)