methyl (6R)-3-(4-chlorophenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(4-chlorophenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(4-chlorophenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-chlorophenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(4-chlorophenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(4-chlorophenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC4=C(C(=C3)OC)OCO4)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC4=C(C(=C3)OC)OCO4)C(=O)OC

InChI

InChI=1S/C21H19ClN2O5S/c1-11-17(20(25)27-3)18(12-8-15(26-2)19-16(9-12)28-10-29-19)23-21(30)24(11)14-6-4-13(22)5-7-14/h4-9,18H,10H2,1-3H3,(H,23,30)/t18-/m1/s1