(phenylmethyl) (4R,5S)-4-(4-chloranyl-3-nitro-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) (4R,5S)-4-(4-chloranyl-3-nitro-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl (4R,5S)-4-(4-chloro-3-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-chloro-3-nitrophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,5S)-4-(4-chloro-3-nitrophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-chloro-3-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O4S/c1-11-16(18(24)27-10-12-5-3-2-4-6-12)17(22-19(28)21-11)13-7-8-14(20)15(9-13)23(25)26/h2-9,16-17H,1,10H2,(H2,21,22,28)/t16-,17+/m1/s1