2-methoxyethyl 6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OCCOC

InChI

InChI=1S/C16H17N3O7S/c1-8-13(15(20)24-4-3-23-2)14(18-16(27)17-8)9-5-11-12(26-7-25-11)6-10(9)19(21)22/h5-6,14H,3-4,7H2,1-2H3,(H2,17,18,27)