2-chloranyl-5-[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-(m-anisoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H21ClN2O5S MolecularWeight: 484.95194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O5S/c1-14(22(28)26-17-9-10-21(25)20(13-17)24(30)31)33-19-8-4-6-16(12-19)27-23(29)15-5-3-7-18(11-15)32-2/h3-14H,1-2H3,(H,26,28)(H,27,29)(H,30,31)