3-phenylpropyl (6S)-3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl (6S)-3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl (6S)-3,4-dimethyl-6-(5-methyl-2-thienyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-(5-methyl-2-thiophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (6S)-3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-2-keto-3,4-dimethyl-6-(5-methyl-2-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)[C@@H]2C(=C(N(C(=O)N2)C)C)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-14-11-12-17(27-14)19-18(15(2)23(3)21(25)22-19)20(24)26-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,19H,7,10,13H2,1-3H3,(H,22,25)/t19-/m1/s1