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

Systemtic Name: methyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC

InChI

InChI=1S/C14H13BrN2O4S/c1-6-11(13(18)19-2)12(17-14(22)16-6)7-3-9-10(4-8(7)15)21-5-20-9/h3-4,12H,5H2,1-2H3,(H2,16,17,22)