[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(C=CS1)C2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(C=CS1)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3S/c1-19(10-5-9-18)15(20)12-22-17(21)16-14(8-11-23-16)13-6-3-2-4-7-13/h2-4,6-8,11H,5,10,12H2,1H3