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

Systemtic Name: methyl (6R)-6-(4-chloranyl-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CC2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H16ClN3O4S/c1-8-13(15(21)24-2)14(18-16(25)19(8)10-4-5-10)9-3-6-11(17)12(7-9)20(22)23/h3,6-7,10,14H,4-5H2,1-2H3,(H,18,25)/t14-/m1/s1