3-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[(2-carboxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[4-[(2-carboxybenzoyl)amino]phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C25H22N2O6S MolecularWeight: 478.51698

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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=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H22N2O6S/c1-14-7-8-16(24(30)31)13-21(14)27-22(28)15(2)34-18-11-9-17(10-12-18)26-23(29)19-5-3-4-6-20(19)25(32)33/h3-13,15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)(H,32,33)