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

Systemtic Name: tert-butyl (4R,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-10-14(16(21)24-18(2,3)4)15(20-17(25)19-10)11-5-6-12-13(9-11)23-8-7-22-12/h5-6,9,14-15H,1,7-8H2,2-4H3,(H2,19,20,25)/t14-,15+/m1/s1