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

Systemtic Name: 4-oxidanylidene-1-prop-2-enyl-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Openeye Name: 1-allyl-4-oxo-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide CAS Name: N-(2-mercaptoethyl)-4-oxo-1-prop-2-enyl-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide IUPAC Name: 4-oxo-1-prop-2-enyl-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Traditional Name: 1-allyl-4-keto-N-(2-mercaptoethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)NCCS)OCO3

Isomeric SMILES

C=CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)NCCS)OCO3

InChI

InChI=1S/C15H15N3O4S/c1-2-4-18-10-7-12-11(21-8-22-12)6-9(10)14(19)13(17-18)15(20)16-3-5-23/h2,6-7,23H,1,3-5,8H2,(H,16,20)