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

Systemtic Name: 2-[1-(5-chloranyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethanoic acid Openeye Name: 2-[1-(5-chloro-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylacetic acid CAS Name: 2-[[1-(5-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]acetic acid IUPAC Name: 2-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid Traditional Name: 2-[[1-(5-chloro-2-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]acetic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)CC(C2=O)SCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)CC(C2=O)SCC(=O)O

InChI

InChI=1S/C13H12ClNO4S/c1-7-2-3-8(14)4-9(7)15-11(16)5-10(13(15)19)20-6-12(17)18/h2-4,10H,5-6H2,1H3,(H,17,18)