methyl (6S)-3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCCO4)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCCO4)C(=O)OC

InChI

InChI=1S/C21H19BrN2O4S/c1-12-18(20(25)26-2)19(13-6-7-16-17(10-13)28-9-8-27-16)23-21(29)24(12)15-5-3-4-14(22)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,23,29)/t19-/m0/s1