methyl 4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-methylene-6-(3-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-(3-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-7-10(12(17)20-2)11(15-13(21)14-7)8-4-3-5-9(6-8)16(18)19/h3-6,10-11H,1H2,2H3,(H2,14,15,21)