ethyl 3-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4-methylbenzoate Traditional Name: 3-[2-[(4-chlorophenyl)thio]butanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-4-18(26-16-10-8-15(21)9-11-16)19(23)22-17-12-14(7-6-13(17)3)20(24)25-5-2/h6-12,18H,4-5H2,1-3H3,(H,22,23)