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

Systemtic Name: 3-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 3-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]benzoic acid CAS Name: 3-[[2-[[8-(1,3-benzothiazol-2-yl)-1-naphthalenyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]benzoic acid Traditional Name: 3-[2-[8-(1,3-benzothiazol-2-yl)-1-naphthoyl]oxybutanoylamino]benzoic acid Formula: C29H22N2O5S MolecularWeight: 510.56038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O5S/c1-2-23(26(32)30-19-11-5-10-18(16-19)28(33)34)36-29(35)21-13-7-9-17-8-6-12-20(25(17)21)27-31-22-14-3-4-15-24(22)37-27/h3-16,23H,2H2,1H3,(H,30,32)(H,33,34)