4-[1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]piperidin-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]piperidin-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-3-piperidyl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-1-oxoethyl]-3-piperidinyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperidin-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[[1-[2-(5-chloro-2-keto-1,3-benzothiazol-3-yl)acetyl]-3-piperidyl]oxy]-4-keto-butyric acid Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)OC(=O)CCC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)OC(=O)CCC(=O)O

InChI

InChI=1S/C18H19ClN2O6S/c19-11-3-4-14-13(8-11)21(18(26)28-14)10-15(22)20-7-1-2-12(9-20)27-17(25)6-5-16(23)24/h3-4,8,12H,1-2,5-7,9-10H2,(H,23,24)