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

Systemtic Name: methyl (6R)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-allyl-6-(4-chloro-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-chloro-3-nitrophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(4-chloro-3-nitrophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-allyl-6-(4-chloro-3-nitro-phenyl)-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)N1CC=C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC=C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H16ClN3O4S/c1-4-7-19-9(2)13(15(21)24-3)14(18-16(19)25)10-5-6-11(17)12(8-10)20(22)23/h4-6,8,14H,1,7H2,2-3H3,(H,18,25)/t14-/m1/s1