propyl 2-[[2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propyl 2-[[2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[[2-(3-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C30H29ClN2O3S MolecularWeight: 533.08086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C30H29ClN2O3S/c1-3-16-36-30(35)26-22-13-5-4-6-15-24(22)37-29(26)33-28(34)25-18(2)27(19-10-9-11-20(31)17-19)32-23-14-8-7-12-21(23)25/h7-12,14,17H,3-6,13,15-16H2,1-2H3,(H,33,34)