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

Systemtic Name: phenethyl (6S)-3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)[C@@H]2C(=C(N(C(=O)N2)C)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-13-9-10-16(26-13)18-17(14(2)22(3)20(24)21-18)19(23)25-12-11-15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3,(H,21,24)/t18-/m1/s1