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

Systemtic Name: 2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-9-13(15(19)21-6-5-20-2)14(18-16(24)17-9)10-3-4-11-12(7-10)23-8-22-11/h3-4,7,14H,5-6,8H2,1-2H3,(H2,17,18,24)