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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1C(C(NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C14H16N2O4S/c1-7-11(13(17)18-2)12(16-14(21)15-7)8-3-4-9-10(5-8)20-6-19-9/h3-5,7,11-12H,6H2,1-2H3,(H2,15,16,21)