2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzoate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]benzoate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]benzoate Formula: C16H14NO3S- MolecularWeight: 300.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)[O-]

InChI

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