methyl 2-[2-[(1R)-1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(1R)-1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-1-cyano-2-(p-tolyl)ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[(1R)-1-cyano-2-(4-methylphenyl)ethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(1R)-1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-1-cyano-2-(p-tolyl)ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C17H17N3O3S/c1-11-3-5-12(6-4-11)7-14(10-18)24-17-19-13(8-15(21)20-17)9-16(22)23-2/h3-6,8,14H,7,9H2,1-2H3,(H,19,20,21)/t14-/m1/s1