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

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-15(21(27)25-18-10-4-2-8-16(18)14-24)29-23(28)20-17-9-3-5-11-19(17)30-22(20)26-12-6-7-13-26/h2,4,6-8,10,12-13,15H,3,5,9,11H2,1H3,(H,25,27)/t15-/m1/s1