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

Systemtic Name: 2-(cyclohexen-1-ylmethyl)-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Openeye Name: 2-(cyclohexen-1-ylmethyl)-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one CAS Name: 2-(1-cyclohexenylmethyl)-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 2-(cyclohexen-1-ylmethyl)-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Traditional Name: 2-(cyclohexen-1-ylmethyl)-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c26-21-19(23-17-11-4-5-12-18(17)24-21)15-9-6-10-16-20(15)28-25(22(16)27)13-14-7-2-1-3-8-14/h4-7,9-12H,1-3,8,13H2,(H,24,26)