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

Systemtic Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C)C

InChI

InChI=1S/C23H24N2O4S/c1-4-27-22(26)20-15(3)25(17-7-5-6-14(2)12-17)23(30)24-21(20)16-8-9-18-19(13-16)29-11-10-28-18/h5-9,12-13,21H,4,10-11H2,1-3H3,(H,24,30)/t21-/m0/s1