[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12N2O3S/c1-10(20-15(19)11-5-3-2-4-6-11)13(18)17-14-12(9-16)7-8-21-14/h2-8,10H,1H3,(H,17,18)