ethyl 4-oxidanylidene-2-[(Z)-7-(phenylsulfonyl)hept-3-en-1,5-diynyl]-2,3-dihydroquinoline-1-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-2-[(Z)-7-(phenylsulfonyl)hept-3-en-1,5-diynyl]-2,3-dihydroquinoline-1-carboxylate Openeye Name: ethyl 2-[(Z)-7-(benzenesulfonyl)hept-3-en-1,5-diynyl]-4-oxo-2,3-dihydroquinoline-1-carboxylate CAS Name: 2-[(Z)-7-(benzenesulfonyl)hept-3-en-1,5-diynyl]-4-oxo-2,3-dihydroquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-7-(benzenesulfonyl)hept-3-en-1,5-diynyl]-4-oxo-2,3-dihydroquinoline-1-carboxylate Traditional Name: 2-[(Z)-7-besylhept-3-en-1,5-diynyl]-4-keto-2,3-dihydroquinoline-1-carboxylic acid ethyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=O)C2=CC=CC=C21)C#CC=CC#CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C(CC(=O)C2=CC=CC=C21)C#C/C=C\C#CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21NO5S/c1-2-31-25(28)26-20(19-24(27)22-16-10-11-17-23(22)26)13-7-4-3-5-12-18-32(29,30)21-14-8-6-9-15-21/h3-4,6,8-11,14-17,20H,2,18-19H2,1H3/b4-3-