3-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]benzoate Openeye Name: 3-[(2-anilino-2-oxo-ethyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2-anilino-2-oxoethyl)thio]methyl]benzoate IUPAC Name: 3-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2-anilino-2-keto-ethyl)thio]methyl]benzoate Formula: C16H14NO3S- MolecularWeight: 300.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)[O-]

InChI

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