ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC3=C(C=C2)OCO3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC3=C(C=C2)OCO3)SC)C

InChI

InChI=1S/C16H18N2O4S/c1-4-20-15(19)13-9(2)17-16(23-3)18-14(13)10-5-6-11-12(7-10)22-8-21-11/h5-7,14H,4,8H2,1-3H3,(H,17,18)