3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H16N2O4S/c20-15(18-13-6-2-1-3-7-13)10-24-11-16(21)19-14-8-4-5-12(9-14)17(22)23/h1-9H,10-11H2,(H,18,20)(H,19,21)(H,22,23)