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

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoylamino]-3-methylbenzoate Traditional Name: 4-[2-[(4-chlorophenyl)thio]butanoylamino]-3-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=C(C=C1)C(=O)OCC)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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