[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-15(2)13-22-21(26)23-18(24)14-27-20(25)19(16-9-5-3-6-10-16)28-17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H2,22,23,24,26)/t19-/m0/s1