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

Systemtic Name: ethyl (6R)-6-(4-chloranyl-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(4-chloro-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-chloro-3-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(4-chloro-3-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-])C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3CC3)C

InChI

InChI=1S/C17H18ClN3O4S/c1-3-25-16(22)14-9(2)20(11-5-6-11)17(26)19-15(14)10-4-7-12(18)13(8-10)21(23)24/h4,7-8,11,15H,3,5-6H2,1-2H3,(H,19,26)/t15-/m1/s1