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

Systemtic Name: ethyl (5R,6S)-6-(1,3-benzodioxol-5-yl)-1-ethanoyl-4-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-1-acetyl-6-(1,3-benzodioxol-5-yl)-4-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-1-acetyl-6-(1,3-benzodioxol-5-yl)-4-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-1-acetyl-6-(1,3-benzodioxol-5-yl)-4-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-1-acetyl-6-(1,3-benzodioxol-5-yl)-4-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=S)NC1=C)C(=O)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-4-22-16(21)14-9(2)18-17(25)19(10(3)20)15(14)11-5-6-12-13(7-11)24-8-23-12/h5-7,14-15H,2,4,8H2,1,3H3,(H,18,25)/t14-,15+/m0/s1