2-[1-(2-acetyloxy-5-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2-acetyloxy-5-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-acetoxy-5-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-acetyloxy-5-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(2-acetyloxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2-acetoxy-5-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H17NO6S/c1-11-7-8-15(27-12(2)22)14(9-11)21-18(23)10-17(19(21)24)28-16-6-4-3-5-13(16)20(25)26/h3-9,17H,10H2,1-2H3,(H,25,26)