ethyl (4R)-6-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(E)-3-(3-bromophenyl)acryloyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O5S/c1-2-28-20(26)18-15(23-21(27)24-19(18)16-7-4-10-30-16)12-29-17(25)9-8-13-5-3-6-14(22)11-13/h3-11,19H,2,12H2,1H3,(H2,23,24,27)/b9-8+/t19-/m0/s1