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

Systemtic Name: ethyl 2-[(6,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6,8-dimethyl-2-phenyl-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-phenylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2O3S/c1-5-20-12-13-22-26(16-20)37-30(27(22)31(35)36-6-2)33-29(34)24-17-25(21-10-8-7-9-11-21)32-28-19(4)14-18(3)15-23(24)28/h7-11,14-15,17,20H,5-6,12-13,16H2,1-4H3,(H,33,34)