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

Systemtic Name: methyl 2-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O3S/c1-17-23(19-13-9-10-15-21(19)29-25(17)18-11-5-3-6-12-18)26(31)30-27-24(28(32)33-2)20-14-7-4-8-16-22(20)34-27/h3,5-6,9-13,15H,4,7-8,14,16H2,1-2H3,(H,30,31)