propan-2-yl 2-[[(4S)-5-cyano-4-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[(4S)-5-cyano-4-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[(4S)-4-(3-benzyloxy-4-methoxy-phenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-cyano-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(4S)-5-cyano-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-4-(3-benzoxy-4-methoxy-phenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid isopropyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=C([C@@H](CC(=O)N1)C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C25H26N2O5S/c1-16(2)32-24(29)15-33-25-20(13-26)19(12-23(28)27-25)18-9-10-21(30-3)22(11-18)31-14-17-7-5-4-6-8-17/h4-11,16,19H,12,14-15H2,1-3H3,(H,27,28)/t19-/m0/s1