propan-2-yl 2-[(7,8-dimethyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(7,8-dimethyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[7,8-dimethyl-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7,8-dimethyl-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(7,8-dimethyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[7,8-dimethyl-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C29H29N3O3S MolecularWeight: 499.62386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)C

InChI

InChI=1S/C29H29N3O3S/c1-16(2)35-29(34)25-21-7-5-6-8-24(21)36-28(25)32-27(33)22-15-23(19-11-13-30-14-12-19)31-26-18(4)17(3)9-10-20(22)26/h9-16H,5-8H2,1-4H3,(H,32,33)