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

Systemtic Name: 2-[1-(4-acetyloxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-acetoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-acetyloxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]acetic acid IUPAC Name: 2-[1-(4-acetyloxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-acetoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]acetic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)O

InChI

InChI=1S/C14H13NO6S/c1-8(16)21-10-4-2-9(3-5-10)15-12(17)6-11(14(15)20)22-7-13(18)19/h2-5,11H,6-7H2,1H3,(H,18,19)