[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S2/c23-20(15-27-21(24)11-13-28-19-9-5-2-6-10-19)22(17-7-3-1-4-8-17)18-12-14-29(25,26)16-18/h1-10,12,14,18H,11,13,15-16H2