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

Systemtic Name: methyl (6R)-2-[(7-chloranyl-8-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(7-chloro-8-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN2O3S/c1-15-9-10-19-23(13-15)35-27(24(19)28(33)34-3)31-26(32)20-14-22(17-7-5-4-6-8-17)30-25-16(2)21(29)12-11-18(20)25/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,31,32)/t15-/m1/s1