ethyl 4-methyl-6-(5-nitrofuran-2-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(5-nitrofuran-2-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(5-nitro-2-furyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-(5-nitro-2-furanyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(5-nitrofuran-2-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(5-nitro-2-furyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3O5S/c1-3-25-17(22)15-11(2)20(12-7-5-4-6-8-12)18(27)19-16(15)13-9-10-14(26-13)21(23)24/h4-10,16H,3H2,1-2H3,(H,19,27)