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

Systemtic Name: ethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Cl)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Cl)OCO3)C

InChI

InChI=1S/C15H15ClN2O4S/c1-3-20-14(19)12-7(2)17-15(23)18-13(12)8-4-10-11(5-9(8)16)22-6-21-10/h4-5,13H,3,6H2,1-2H3,(H2,17,18,23)