ethyl (4S)-6-[(4-methanoylphenyl)carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(4-methanoylphenyl)carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-formylbenzoyl)oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-formylphenyl)-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-formylbenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-formylbenzoyl)oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6S/c1-2-27-19(25)16-14(21-20(26)22-17(16)15-4-3-9-29-15)11-28-18(24)13-7-5-12(10-23)6-8-13/h3-10,17H,2,11H2,1H3,(H2,21,22,26)/t17-/m1/s1