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

Systemtic Name: methyl 2-[(6,8-dimethyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[6,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6,8-dimethyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6,8-dimethyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)C

InChI

InChI=1S/C27H25N3O3S/c1-15-11-16(2)24-19(12-15)20(13-21(29-24)17-7-6-10-28-14-17)25(31)30-26-23(27(32)33-3)18-8-4-5-9-22(18)34-26/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,30,31)