methyl 2-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-[(2,6-dimethoxybenzoyl)amino]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=C(C=CC=C3OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

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