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

Systemtic Name: ethyl (4S)-6-[[(E)-but-2-enoyl]oxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(E)-but-2-enoyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-2-oxo-6-[[(E)-1-oxobut-2-enoxy]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(E)-but-2-enoyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(E)-but-2-enoyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-3-6-12(19)23-9-10-13(15(20)22-4-2)14(18-16(21)17-10)11-7-5-8-24-11/h3,5-8,14H,4,9H2,1-2H3,(H2,17,18,21)/b6-3+/t14-/m1/s1