ethyl (4S,5S)-4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(C(=C)NC(=S)N2)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCC)O

InChI

InChI=1S/C16H19N3O6S/c1-4-24-14-10(20)7-6-9(13(14)19(22)23)12-11(15(21)25-5-2)8(3)17-16(26)18-12/h6-7,11-12,20H,3-5H2,1-2H3,(H2,17,18,26)/t11-,12-/m1/s1