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

Systemtic Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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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=C(C=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-4-28-22(26)20-14(2)25(16-6-8-17(27-3)9-7-16)23(31)24-21(20)15-5-10-18-19(13-15)30-12-11-29-18/h5-10,13,21H,4,11-12H2,1-3H3,(H,24,31)/t21-/m0/s1