ethyl 6-(2-chloranyl-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2-chloranyl-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2-chloro-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-5-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chloro-5-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chloro-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3CC3)C

InChI

InChI=1S/C17H18ClN3O4S/c1-3-25-16(22)14-9(2)20(10-4-5-10)17(26)19-15(14)12-8-11(21(23)24)6-7-13(12)18/h6-8,10,15H,3-5H2,1-2H3,(H,19,26)