4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]benzoic acid IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(benzylamino)-2-keto-ethyl]thio]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c18-15(17-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)