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

Systemtic Name: methyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC4=C(C=C3)OCCO4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C([C@@H](NC2=S)C3=CC4=C(C=C3)OCCO4)C(=O)OC)C

InChI

InChI=1S/C22H22N2O4S/c1-13-5-4-6-16(11-13)24-14(2)19(21(25)26-3)20(23-22(24)29)15-7-8-17-18(12-15)28-10-9-27-17/h4-8,11-12,20H,9-10H2,1-3H3,(H,23,29)/t20-/m0/s1