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

Systemtic Name: ethyl 6-ethyl-2-[(8-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[(8-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(8-methyl-2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=CC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O3S/c1-4-19-14-15-22-25(16-19)36-29(26(22)30(34)35-5-2)32-28(33)23-17-24(20-11-7-6-8-12-20)31-27-18(3)10-9-13-21(23)27/h6-13,17,19H,4-5,14-16H2,1-3H3,(H,32,33)