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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=S)NC1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CNC(=S)NC1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H14N2O4S/c1-2-18-13(17)9-6-15-14(21)16-12(9)8-3-4-10-11(5-8)20-7-19-10/h3-6,12H,2,7H2,1H3,(H2,15,16,21)