[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c20-10-11-21(14-6-2-1-3-7-14)18(22)12-24-19(23)16-13-25-17-9-5-4-8-15(16)17/h1-3,6-7,13H,4-5,8-9,11-12H2