cyanomethyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid cyanomethyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#N)SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#N)SCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H13N3O3S/c19-8-9-24-18(23)15-6-1-2-7-16(15)25-12-17(22)21-14-5-3-4-13(10-14)11-20/h1-7,10H,9,12H2,(H,21,22)