phenyl 1-(3-methylbut-2-enyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-sulfonate

Systemtic Name: phenyl 1-(3-methylbut-2-enyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-sulfonate Openeye Name: phenyl 1-(3-methylbut-2-enyl)-3-oxo-2,4-dihydroquinoxaline-6-sulfonate CAS Name: 1-(3-methylbut-2-enyl)-3-oxo-2,4-dihydroquinoxaline-6-sulfonic acid phenyl ester IUPAC Name: phenyl 1-(3-methylbut-2-enyl)-3-oxo-2,4-dihydroquinoxaline-6-sulfonate Traditional Name: 3-keto-1-(3-methylbut-2-enyl)-2,4-dihydroquinoxaline-6-sulfonic acid phenyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CC(=O)NC2=C1C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC(=CCN1CC(=O)NC2=C1C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O4S/c1-14(2)10-11-21-13-19(22)20-17-12-16(8-9-18(17)21)26(23,24)25-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,20,22)