methyl 2-[4-oxidanylidene-2-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O4S/c1-27-17(25)13-15-12-16(24)22-20(21-15)28-18(14-8-4-2-5-9-14)19(26)23-10-6-3-7-11-23/h2,4-5,8-9,12,18H,3,6-7,10-11,13H2,1H3,(H,21,22,24)/t18-/m0/s1