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

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

CCCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H24N2O4S/c1-3-7-17-20(22(26)27-2)21(15-8-5-4-6-9-15)24-23(30)25(17)16-10-11-18-19(14-16)29-13-12-28-18/h4-6,8-11,14,21H,3,7,12-13H2,1-2H3,(H,24,30)