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

Systemtic Name: methyl (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)OC)C(=O)OC

InChI

InChI=1S/C22H22N2O5S/c1-13-19(21(25)27-3)20(14-5-4-6-16(11-14)26-2)23-22(30)24(13)15-7-8-17-18(12-15)29-10-9-28-17/h4-8,11-12,20H,9-10H2,1-3H3,(H,23,30)/t20-/m0/s1