[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C19H20N2O3S/c1-13-14-7-3-4-8-15(14)25-17(13)18(23)24-11-16(22)21-19(12-20)9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,22)