ethyl 4-(1,3-benzodioxol-5-yl)-6-[(2-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(2-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-(o-tolylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[[(2-methylphenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(2-methylphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-[(o-tolylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=CC=CC=C4C

InChI

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