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

Systemtic Name: ethyl 2-[(6,8-dimethyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6,8-dimethyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6,8-dimethyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CN=CC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CN=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-5-19-9-10-21-25(14-19)37-29(26(21)30(35)36-6-2)33-28(34)23-15-24(20-8-7-11-31-16-20)32-27-18(4)12-17(3)13-22(23)27/h7-8,11-13,15-16,19H,5-6,9-10,14H2,1-4H3,(H,33,34)