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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N2O3S/c1-12-6-7-16-17(11-26-18(16)8-12)20(24)25-13(2)19(23)22-15-5-3-4-14(9-15)10-21/h3-5,9,11-13H,6-8H2,1-2H3,(H,22,23)