tert-butyl (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2)OCCO3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC3=C(C=C2)OCCO3)C(=O)OC(C)(C)C

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/h5-6,9,15H,7-8H2,1-4H3,(H2,19,20,25)/t15-/m1/s1