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

Systemtic Name: ethyl 2-[(7-chloranyl-8-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-8-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H29ClN2O3S MolecularWeight: 533.08086

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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)Cl)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H29ClN2O3S/c1-4-18-11-12-21-25(15-18)37-29(26(21)30(35)36-5-2)33-28(34)22-16-24(19-9-7-6-8-10-19)32-27-17(3)23(31)14-13-20(22)27/h6-10,13-14,16,18H,4-5,11-12,15H2,1-3H3,(H,33,34)