5-[2-[2-(1,3-benzothiazol-2-yl)phenyl]carbonyloxybutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[2-(1,3-benzothiazol-2-yl)phenyl]carbonyloxybutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[2-(1,3-benzothiazol-2-yl)benzoyl]oxybutanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[2-(1,3-benzothiazol-2-yl)phenyl]-oxomethoxy]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[2-(1,3-benzothiazol-2-yl)benzoyl]oxybutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[2-(1,3-benzothiazol-2-yl)benzoyl]oxybutanoylamino]-2-chloro-benzoic acid Formula: C25H19ClN2O5S MolecularWeight: 494.94676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H19ClN2O5S/c1-2-20(22(29)27-14-11-12-18(26)17(13-14)24(30)31)33-25(32)16-8-4-3-7-15(16)23-28-19-9-5-6-10-21(19)34-23/h3-13,20H,2H2,1H3,(H,27,29)(H,30,31)