(2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-3-benzylsulfanyl-N-(3-chloro-4-methoxy-phenyl)-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propanamide IUPAC Name: (2R)-3-benzylsulfanyl-N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: (2R)-3-(benzylthio)-N-(3-chloro-4-methoxy-phenyl)-2-(1-ketoisoindolin-2-yl)propionamide Formula: C25H23ClN2O3S MolecularWeight: 466.97972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C25H23ClN2O3S/c1-31-23-12-11-19(13-21(23)26)27-24(29)22(16-32-15-17-7-3-2-4-8-17)28-14-18-9-5-6-10-20(18)25(28)30/h2-13,22H,14-16H2,1H3,(H,27,29)/t22-/m0/s1