O5-ethyl O3-propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-isopropyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-propan-2-yl ester IUPAC Name: 5-O-ethyl 3-O-propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-isopropyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C

InChI

InChI=1S/C18H21N3O6S/c1-5-26-16(22)14-11(4)19-17(28)20(18(23)27-10(2)3)15(14)12-7-6-8-13(9-12)21(24)25/h6-10,15H,5H2,1-4H3,(H,19,28)