2-(4-oxidanylcyclohexyl)-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one

Systemtic Name: 2-(4-oxidanylcyclohexyl)-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Openeye Name: 2-(4-hydroxycyclohexyl)-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one CAS Name: 2-(4-hydroxycyclohexyl)-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 2-(4-hydroxycyclohexyl)-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Traditional Name: 2-(4-hydroxycyclohexyl)-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O)O

Isomeric SMILES

C1CC(CCC1N2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O)O

InChI

InChI=1S/C21H19N3O3S/c25-13-10-8-12(9-11-13)24-21(27)15-5-3-4-14(19(15)28-24)18-20(26)23-17-7-2-1-6-16(17)22-18/h1-7,12-13,25H,8-11H2,(H,23,26)