4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbenzoic acid Openeye Name: 4-(2-anilino-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 4-[(2-anilino-2-oxoethyl)thio]benzoic acid IUPAC Name: 4-(2-anilino-2-oxoethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-anilino-2-keto-ethyl)thio]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13NO3S/c17-14(16-12-4-2-1-3-5-12)10-20-13-8-6-11(7-9-13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)