[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C24H23N3O4S MolecularWeight: 449.52212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C24H23N3O4S/c1-14-16(11-12-18(26-14)15-7-3-2-4-8-15)24(30)31-13-20(28)27-23-21(22(25)29)17-9-5-6-10-19(17)32-23/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H2,25,29)(H,27,28)