propan-2-yl (4R,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(NC(=S)NC1=C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)OC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC3=C(C=C2)OCCO3

InChI

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