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

Systemtic Name: propyl 2-[[2-(4-ethylphenyl)-3-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(4-ethylphenyl)-3-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-ethylphenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(4-ethylphenyl)-3-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylphenyl)-3-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC)C

InChI

InChI=1S/C31H32N2O3S/c1-4-18-36-31(35)27-23-11-7-9-13-25(23)37-30(27)33-29(34)26-19(3)28(21-16-14-20(5-2)15-17-21)32-24-12-8-6-10-22(24)26/h6,8,10,12,14-17H,4-5,7,9,11,13,18H2,1-3H3,(H,33,34)