[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H25NO3S/c1-3-19-14-16-21(17-15-19)26-24(27)18(2)29-25(28)23(20-10-6-4-7-11-20)30-22-12-8-5-9-13-22/h4-18,23H,3H2,1-2H3,(H,26,27)/t18-,23-/m0/s1