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

Systemtic Name: 3-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C26H26N2O6S/c1-15-11-12-17(26(31)32)13-20(15)28-24(29)16(2)35-19-8-5-7-18(14-19)27-25(30)23-21(33-3)9-6-10-22(23)34-4/h5-14,16H,1-4H3,(H,27,30)(H,28,29)(H,31,32)