ethyl 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-(piperonylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H14N2O5S/c1-2-20-14(19)10-6-16-15(17-13(10)18)23-7-9-3-4-11-12(5-9)22-8-21-11/h3-6H,2,7-8H2,1H3,(H,16,17,18)