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

Systemtic Name: methyl (6S)-2-[(7-chloranyl-8-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[(7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(7-chloro-8-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C29H27ClN2O3S MolecularWeight: 519.05428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[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/C29H27ClN2O3S/c1-4-17-10-11-20-24(14-17)36-28(25(20)29(34)35-3)32-27(33)21-15-23(18-8-6-5-7-9-18)31-26-16(2)22(30)13-12-19(21)26/h5-9,12-13,15,17H,4,10-11,14H2,1-3H3,(H,32,33)/t17-/m0/s1