7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-1,4-dihydroquinoxaline-2-carboxylic acid

Systemtic Name: 7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-1,4-dihydroquinoxaline-2-carboxylic acid Openeye Name: 7-methoxy-2-(methylsulfanylmethyl)-3-thioxo-1,4-dihydroquinoxaline-2-carboxylic acid CAS Name: 7-methoxy-2-[(methylthio)methyl]-3-sulfanylidene-1,4-dihydroquinoxaline-2-carboxylic acid IUPAC Name: 7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-1,4-dihydroquinoxaline-2-carboxylic acid Traditional Name: 7-methoxy-2-[(methylthio)methyl]-3-thioxo-1,4-dihydroquinoxaline-2-carboxylic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=S)C(N2)(CSC)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=S)C(N2)(CSC)C(=O)O

InChI

InChI=1S/C12H14N2O3S2/c1-17-7-3-4-8-9(5-7)14-12(6-19-2,11(15)16)10(18)13-8/h3-5,14H,6H2,1-2H3,(H,13,18)(H,15,16)