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

Systemtic Name: ethyl 6-ethyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3S/c1-3-18-14-15-21-25(16-18)35-28(26(21)29(33)34-4-2)31-27(32)22-17-24(19-10-6-5-7-11-19)30-23-13-9-8-12-20(22)23/h5-13,17-18H,3-4,14-16H2,1-2H3,(H,31,32)