6-methyl-7-oxidanylidene-2-prop-2-enylsulfanyl-1H-thiopyrano[2,3-d]imidazole-5-carboxylic acid

Systemtic Name: 6-methyl-7-oxidanylidene-2-prop-2-enylsulfanyl-1H-thiopyrano[2,3-d]imidazole-5-carboxylic acid Openeye Name: 2-allylsulfanyl-6-methyl-7-oxo-1H-thiopyrano[2,3-d]imidazole-5-carboxylic acid CAS Name: 6-methyl-7-oxo-2-(prop-2-enylthio)-1H-thiopyrano[2,3-d]imidazole-5-carboxylic acid IUPAC Name: 6-methyl-7-oxo-2-prop-2-enylsulfanyl-1H-thiopyrano[2,3-d]imidazole-5-carboxylic acid Traditional Name: 2-(allylthio)-7-keto-6-methyl-1H-thiopyran[2,3-d]imidazole-5-carboxylic acid Formula: C11H10N2O3S2 MolecularWeight: 282.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C1=O)NC(=N2)SCC=C)C(=O)O

Isomeric SMILES

CC1=C(SC2=C(C1=O)NC(=N2)SCC=C)C(=O)O

InChI

InChI=1S/C11H10N2O3S2/c1-3-4-17-11-12-6-7(14)5(2)8(10(15)16)18-9(6)13-11/h3H,1,4H2,2H3,(H,12,13)(H,15,16)