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

Systemtic Name: 2-[(1-oxidanylcyclohexyl)methyl]-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Openeye Name: 2-[(1-hydroxycyclohexyl)methyl]-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one CAS Name: 2-[(1-hydroxycyclohexyl)methyl]-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 2-[(1-hydroxycyclohexyl)methyl]-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Traditional Name: 2-[(1-hydroxycyclohexyl)methyl]-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O)O

Isomeric SMILES

C1CCC(CC1)(CN2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O)O

InChI

InChI=1S/C22H21N3O3S/c26-20-18(23-16-9-2-3-10-17(16)24-20)14-7-6-8-15-19(14)29-25(21(15)27)13-22(28)11-4-1-5-12-22/h2-3,6-10,28H,1,4-5,11-13H2,(H,24,26)