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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN2O3S/c1-3-13-35-29(34)26-20-11-9-17(2)14-25(20)36-28(26)32-27(33)22-16-24(18-7-5-4-6-8-18)31-23-12-10-19(30)15-21(22)23/h4-8,10,12,15-17H,3,9,11,13-14H2,1-2H3,(H,32,33)/t17-/m1/s1