ethyl 3-[[(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanoyl]amino]benzoate Openeye Name: ethyl 3-[[(2R)-3-benzylsulfanyl-2-(1-oxoisoindolin-2-yl)propanoyl]amino]benzoate CAS Name: 3-[[(2R)-1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-3-benzylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]benzoate Traditional Name: 3-[[(2R)-3-(benzylthio)-2-(1-ketoisoindolin-2-yl)propanoyl]amino]benzoic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4S/c1-2-33-27(32)20-12-8-13-22(15-20)28-25(30)24(18-34-17-19-9-4-3-5-10-19)29-16-21-11-6-7-14-23(21)26(29)31/h3-15,24H,2,16-18H2,1H3,(H,28,30)/t24-/m0/s1