methyl 3-[4-oxidanyl-2,5-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-oxidanyl-2,5-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylpropanoate Openeye Name: methyl 3-[4-hydroxy-2,5-dioxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylpropanoate CAS Name: 3-[[4-hydroxy-2,5-dioxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-2,5-dioxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylpropanoate Traditional Name: 3-[[4-hydroxy-2,5-diketo-1-(4-phenoxybenzyl)pyrrolidin-3-yl]thio]propionic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1C(C(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CCSC1C(C(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO6S/c1-27-17(23)11-12-29-19-18(24)20(25)22(21(19)26)13-14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-10,18-19,24H,11-13H2,1H3