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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CO)N2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CCC(C1)(CO)N2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O

InChI

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