2-ethylsulfanylethyl (5R,6S)-4-methylidene-6-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (5R,6S)-4-methylidene-6-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (5R,6S)-4-methylene-6-(4-methyl-3-nitro-phenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(4-methyl-3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (5R,6S)-4-methylidene-6-(4-methyl-3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(4-methyl-3-nitro-phenyl)hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCSCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-4-26-8-7-25-16(21)14-11(3)18-17(22)19-15(14)12-6-5-10(2)13(9-12)20(23)24/h5-6,9,14-15H,3-4,7-8H2,1-2H3,(H2,18,19,22)/t14-,15+/m0/s1