2-ethylsulfanylethyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C

InChI

InChI=1S/C18H21BrN2O5S/c1-4-27-6-5-24-17(22)15-10(2)21(3)18(23)20-16(15)11-7-13-14(8-12(11)19)26-9-25-13/h7-8,16H,4-6,9H2,1-3H3,(H,20,23)