3-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]butanoylamino]-4-methyl-benzoic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

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