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

Systemtic Name: ethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6S/c1-4-23-15(20)13-8(2)18(3)16(26)17-14(13)9-5-11-12(25-7-24-11)6-10(9)19(21)22/h5-6,14H,4,7H2,1-3H3,(H,17,26)