2-methylpropyl (4R)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4R)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4R)-4-(4-chloro-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-chloro-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C16H18ClN3O4S/c1-8(2)7-24-15(21)13-9(3)18-16(25)19-14(13)10-4-5-11(17)12(6-10)20(22)23/h4-6,8,14H,7H2,1-3H3,(H2,18,19,25)/t14-/m1/s1