ethyl 6-[[2-(3-chloranylphenoxy)ethyl-methyl-amino]methyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[2-(3-chloranylphenoxy)ethyl-methyl-amino]methyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(3-chlorophenoxy)ethyl-methyl-amino]methyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-(3-chlorophenoxy)ethyl-methyl-amino]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN(C)CCOC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN(C)CCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-3-28-20(26)18-16(23-21(27)24-19(18)17-8-5-11-30-17)13-25(2)9-10-29-15-7-4-6-14(22)12-15/h4-8,11-12,19H,3,9-10,13H2,1-2H3,(H2,23,24,27)