1-methyl-4-oxidanylidene-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide

Systemtic Name: 1-methyl-4-oxidanylidene-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Openeye Name: 1-methyl-4-oxo-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide CAS Name: N-(2-mercaptoethyl)-1-methyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide IUPAC Name: 1-methyl-4-oxo-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Traditional Name: 4-keto-N-(2-mercaptoethyl)-1-methyl-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)NCCS)OCO3

Isomeric SMILES

CN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)NCCS)OCO3

InChI

InChI=1S/C13H13N3O4S/c1-16-8-5-10-9(19-6-20-10)4-7(8)12(17)11(15-16)13(18)14-2-3-21/h4-5,21H,2-3,6H2,1H3,(H,14,18)