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

Systemtic Name: methyl 4-(1,3-benzodioxol-4-yl)-3-ethanoyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-acetyl-4-(1,3-benzodioxol-4-yl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-acetyl-4-(1,3-benzodioxol-4-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-4-(1,3-benzodioxol-4-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-acetyl-4-(1,3-benzodioxol-4-yl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)C)C2=C3C(=CC=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)C)C2=C3C(=CC=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H16N2O5S/c1-8-12(15(20)21-3)13(18(9(2)19)16(24)17-8)10-5-4-6-11-14(10)23-7-22-11/h4-6,13H,7H2,1-3H3,(H,17,24)