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

Systemtic Name: 2-methoxyethyl 2-[(7,8-dimethyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[7,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[7,8-dimethyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(7,8-dimethyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[7,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCCOC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCCOC)C

InChI

InChI=1S/C29H29N3O4S/c1-17-10-11-20-22(15-23(31-26(20)18(17)2)19-7-6-12-30-16-19)27(33)32-28-25(29(34)36-14-13-35-3)21-8-4-5-9-24(21)37-28/h6-7,10-12,15-16H,4-5,8-9,13-14H2,1-3H3,(H,32,33)