2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloranyl-naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid

Systemtic Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloranyl-naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid Openeye Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-naphthalene-2-carbonyl]amino]-2-methyl-butanoic acid CAS Name: 2-[[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-2-naphthalenyl]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloronaphthalene-2-carbonyl]amino]-2-methylbutanoic acid Traditional Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-2-naphthoyl]amino]-2-methyl-butyric acid Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21ClN2O4S/c1-3-24(2,23(29)30)27-22(28)16-12-17(25)14-8-4-5-9-15(14)21(16)31-13-20-26-18-10-6-7-11-19(18)32-20/h4-12H,3,13H2,1-2H3,(H,27,28)(H,29,30)