[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H14N2O3S/c20-10-9-13-5-7-15(8-6-13)21-18(22)12-24-19(23)17-11-14-3-1-2-4-16(14)25-17/h1-8,11H,9,12H2,(H,21,22)