[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H14N2O3S/c1-11(15(19)18-10-14-6-3-7-22-14)21-16(20)13-5-2-4-12(8-13)9-17/h2-8,11H,10H2,1H3,(H,18,19)