ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[[(E)-3-thiophen-2-ylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[[(E)-3-thiophen-2-ylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[[(E)-3-(2-thienyl)prop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[[(E)-3-thiophen-2-ylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[[(E)-3-(2-thienyl)acryloyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H19ClN2O5S/c1-2-28-20(26)18-16(12-29-17(25)10-9-15-4-3-11-30-15)23-21(27)24-19(18)13-5-7-14(22)8-6-13/h3-11,19H,2,12H2,1H3,(H2,23,24,27)/b10-9+