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

Systemtic Name: 2-ethylsulfanylethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C

InChI

InChI=1S/C18H21N3O7S/c1-4-29-6-5-26-17(22)15-10(2)20(3)18(23)19-16(15)11-7-13-14(28-9-27-13)8-12(11)21(24)25/h7-8,16H,4-6,9H2,1-3H3,(H,19,23)