ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxo-6-[3-(3-thienyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-2-oxo-6-[[1-oxo-3-(3-thiophenyl)propoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxo-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-[3-(3-thienyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H21ClN2O5S/c1-2-28-20(26)18-16(11-29-17(25)8-3-13-9-10-30-12-13)23-21(27)24-19(18)14-4-6-15(22)7-5-14/h4-7,9-10,12,19H,2-3,8,11H2,1H3,(H2,23,24,27)/t19-/m0/s1