[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H19NO5S/c25-21(24-17-11-12-19-20(13-17)29-15-28-19)14-27-23(26)22(16-7-3-1-4-8-16)30-18-9-5-2-6-10-18/h1-13,22H,14-15H2,(H,24,25)