(2-azanyl-2-oxidanylidene-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N

InChI

InChI=1S/C16H12N2O3S/c17-9-11-5-1-3-7-13(11)22-14-8-4-2-6-12(14)16(20)21-10-15(18)19/h1-8H,10H2,(H2,18,19)