methyl 2-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(veratroylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H28N2O6S/c1-5-24(26(31)29-21-12-7-6-11-20(21)27(32)35-4)36-19-10-8-9-18(16-19)28-25(30)17-13-14-22(33-2)23(15-17)34-3/h6-16,24H,5H2,1-4H3,(H,28,30)(H,29,31)