[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H21NO5S/c26-22(25-18-11-12-20-21(15-18)29-14-13-28-20)16-30-24(27)23(17-7-3-1-4-8-17)31-19-9-5-2-6-10-19/h1-12,15,23H,13-14,16H2,(H,25,26)/t23-/m0/s1