2-methylpropyl (4S)-6-methyl-2-oxidanylidene-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4S)-6-methyl-2-oxidanylidene-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4S)-6-methyl-2-oxo-4-(3-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-(3-thiophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(3-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CSC=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CSC=C2)C(=O)OCC(C)C

InChI

InChI=1S/C14H18N2O3S/c1-8(2)6-19-13(17)11-9(3)15-14(18)16-12(11)10-4-5-20-7-10/h4-5,7-8,12H,6H2,1-3H3,(H2,15,16,18)/t12-/m1/s1