ethyl (5R,6S)-4-methylidene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5R,6S)-4-methylidene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H15N3O6S/c1-3-22-14(19)12-7(2)16-15(25)17-13(12)8-4-10-11(24-6-23-10)5-9(8)18(20)21/h4-5,12-13H,2-3,6H2,1H3,(H2,16,17,25)/t12-,13+/m0/s1