5-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=CC(=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=CC(=C3)N

InChI

InChI=1S/C21H18N2O4S/c22-14-7-4-8-16(11-14)28-19(13-5-2-1-3-6-13)20(25)23-15-9-10-18(24)17(12-15)21(26)27/h1-12,19,24H,22H2,(H,23,25)(H,26,27)