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

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C3=CC4=C(C=C3)OCCO4)C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C3=CC4=C(C=C3)OCCO4)C)C(=O)OC

InChI

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