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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CC=N5

InChI

InChI=1S/C29H29N3O3S/c1-4-18-10-11-19-25(15-18)36-28(26(19)29(34)35-5-2)32-27(33)21-16-24(23-8-6-7-13-30-23)31-22-12-9-17(3)14-20(21)22/h6-9,12-14,16,18H,4-5,10-11,15H2,1-3H3,(H,32,33)