[2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3O3S/c1-13-7-8-15-16(10-23)21(29-19(15)9-13)24-20(26)12-28-22(27)17-11-25(2)18-6-4-3-5-14(17)18/h3-6,11,13H,7-9,12H2,1-2H3,(H,24,26)/t13-/m1/s1