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

Systemtic Name: 2-methylpropyl (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: isobutyl (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid isobutyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(NC(=S)NC1=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N2O4S/c1-9(2)7-21-16(20)14-10(3)18-17(24)19-15(14)11-4-5-12-13(6-11)23-8-22-12/h4-6,9,14-15H,3,7-8H2,1-2H3,(H2,18,19,24)/t14-,15+/m1/s1