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

Systemtic Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-14(2)21(27-22(29)16-7-5-4-6-8-16)24(30)31-13-20(28)26-23-18(12-25)17-10-9-15(3)11-19(17)32-23/h4-8,14-15,21H,9-11,13H2,1-3H3,(H,26,28)(H,27,29)