5-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[8-(1,3-benzothiazol-2-yl)-1-naphthalenyl]-oxomethoxy]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[8-(1,3-benzothiazol-2-yl)-1-naphthoyl]oxybutanoylamino]-2-chloro-benzoic acid Formula: C29H21ClN2O5S MolecularWeight: 545.00544

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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=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H21ClN2O5S/c1-2-23(26(33)31-17-13-14-21(30)20(15-17)28(34)35)37-29(36)19-10-6-8-16-7-5-9-18(25(16)19)27-32-22-11-3-4-12-24(22)38-27/h3-15,23H,2H2,1H3,(H,31,33)(H,34,35)