2-[2,5-bis(oxidanylidene)-1-(4-phenacyloxycarbonylphenyl)pyrrolidin-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-(4-phenacyloxycarbonylphenyl)pyrrolidin-3-yl]sulfanylethanoic acid Openeye Name: 2-[2,5-dioxo-1-(4-phenacyloxycarbonylphenyl)pyrrolidin-3-yl]sulfanylacetic acid CAS Name: 2-[[2,5-dioxo-1-[4-[oxo(phenacyloxy)methyl]phenyl]-3-pyrrolidinyl]thio]acetic acid IUPAC Name: 2-[2,5-dioxo-1-(4-phenacyloxycarbonylphenyl)pyrrolidin-3-yl]sulfanylacetic acid Traditional Name: 2-[[2,5-diketo-1-(4-phenacyloxycarbonylphenyl)pyrrolidin-3-yl]thio]acetic acid Formula: C21H17NO7S MolecularWeight: 427.42718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C21H17NO7S/c23-16(13-4-2-1-3-5-13)11-29-21(28)14-6-8-15(9-7-14)22-18(24)10-17(20(22)27)30-12-19(25)26/h1-9,17H,10-12H2,(H,25,26)