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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[[(4-methoxyphenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-[[(4-methoxyphenyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N2O6S/c1-3-28-21(25)19-16(11-31-15-7-5-14(27-2)6-8-15)23-22(26)24-20(19)13-4-9-17-18(10-13)30-12-29-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)