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

Systemtic Name: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic 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] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)[C@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-13-8-9-16-17(11-22)20(28-18(16)10-13)23-19(24)12-26-21(25)14(2)27-15-6-4-3-5-7-15/h3-7,13-14H,8-10,12H2,1-2H3,(H,23,24)/t13-,14+/m1/s1