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

Systemtic Name: ethyl 4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-5-4-6-10(7-9)17(19)20/h4-7,11-12H,2-3H2,1H3,(H2,15,16,22)