methyl 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[2-[(4-chlorophenyl)thio]butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO5S/c1-5-18(28-13-8-6-12(21)7-9-13)19(23)22-15-11-17(26-3)16(25-2)10-14(15)20(24)27-4/h6-11,18H,5H2,1-4H3,(H,22,23)