[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H](C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-3-17(4-2)22-19(23)15-25-21(24)20(16-11-7-5-8-12-16)26-18-13-9-6-10-14-18/h5-14,17,20H,3-4,15H2,1-2H3,(H,22,23)/t20-/m0/s1