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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C=CC=C2Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C(=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C=CC=C2Cl)C5=CC=CC=C5

InChI

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