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

Systemtic Name: methyl 2-[[2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC

InChI

InChI=1S/C28H25ClN2O3S/c1-16-23(19-11-6-7-13-21(19)30-25(16)17-9-8-10-18(29)15-17)26(32)31-27-24(28(33)34-2)20-12-4-3-5-14-22(20)35-27/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,31,32)