[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)COC(=O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)COC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C16H16N2O3S/c1-16(2,10-17)18(3)14(19)9-21-15(20)13-8-11-6-4-5-7-12(11)22-13/h4-8H,9H2,1-3H3