[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C19H18N2O3S/c1-12(18(22)21-15-7-4-5-13(9-15)11-20)24-19(23)17-10-14-6-2-3-8-16(14)25-17/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,21,22)