3-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[8-(1,3-benzothiazol-2-yl)-1-naphthalenyl]-oxomethoxy]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[8-(1,3-benzothiazol-2-yl)-1-naphthoyl]oxybutanoylamino]-4-chloro-benzoic acid Formula: C29H21ClN2O5S MolecularWeight: 545.00544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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