2-(4-oxidanylcyclohexyl)-7-(3-oxidanylidene-8-phenylmethoxy-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one

Systemtic Name: 2-(4-oxidanylcyclohexyl)-7-(3-oxidanylidene-8-phenylmethoxy-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Openeye Name: 7-(8-benzyloxy-3-oxo-4H-quinoxalin-2-yl)-2-(4-hydroxycyclohexyl)-1,2-benzothiazol-3-one CAS Name: 2-(4-hydroxycyclohexyl)-7-(3-oxo-8-phenylmethoxy-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 2-(4-hydroxycyclohexyl)-7-(3-oxo-8-phenylmethoxy-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Traditional Name: 7-(8-benzoxy-3-keto-4H-quinoxalin-2-yl)-2-(4-hydroxycyclohexyl)-1,2-benzothiazol-3-one Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=C(C=CC=C5OCC6=CC=CC=C6)NC4=O)O

Isomeric SMILES

C1CC(CCC1N2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=C(C=CC=C5OCC6=CC=CC=C6)NC4=O)O

InChI

InChI=1S/C28H25N3O4S/c32-19-14-12-18(13-15-19)31-28(34)21-9-4-8-20(26(21)36-31)24-27(33)29-22-10-5-11-23(25(22)30-24)35-16-17-6-2-1-3-7-17/h1-11,18-19,32H,12-16H2,(H,29,33)