methyl 2-(1,3-benzodioxol-5-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C14H12N2O4S/c1-7-11(14(17)18-2)13(21)16-12(15-7)8-3-4-9-10(5-8)20-6-19-9/h3-5H,6H2,1-2H3,(H,15,16,21)