ethyl 6-[2-[(3-methylphenyl)carbonylamino]ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2-[(3-methylphenyl)carbonylamino]ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-(m-toluoylamino)acetyl]oxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-3-30-21(28)18-15(24-22(29)25-19(18)16-8-5-9-32-16)12-31-17(26)11-23-20(27)14-7-4-6-13(2)10-14/h4-10,19H,3,11-12H2,1-2H3,(H,23,27)(H2,24,25,29)