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

Systemtic Name: methyl (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(o-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(o-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=C1C2C(=C(N(C(=S)N2)C3=CC4=C(C=C3)OCCO4)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@H]2C(=C(N(C(=S)N2)C3=CC4=C(C=C3)OCCO4)C)C(=O)OC

InChI

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