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

Systemtic Name: propyl 2-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O3S/c1-3-18-35-30(34)26-22-15-8-5-9-17-24(22)36-29(26)32-28(33)25-19(2)27(20-12-6-4-7-13-20)31-23-16-11-10-14-21(23)25/h4,6-7,10-14,16H,3,5,8-9,15,17-18H2,1-2H3,(H,32,33)