methyl 2-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C31H30Cl2N2O3S MolecularWeight: 581.5525

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H30Cl2N2O3S/c1-5-31(2,3)18-11-12-20-26(15-18)39-29(27(20)30(37)38-4)35-28(36)21-16-25(17-10-13-22(32)23(33)14-17)34-24-9-7-6-8-19(21)24/h6-10,13-14,16,18H,5,11-12,15H2,1-4H3,(H,35,36)