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

Systemtic Name: 4-[[1-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid Openeye Name: 4-[[1-(1,3-benzothiazol-2-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methyl-butanoic acid CAS Name: 4-[[[1-(1,3-benzothiazol-2-ylmethoxy)-2-naphthalenyl]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 4-[[1-(1,3-benzothiazol-2-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylbutanoic acid Traditional Name: 4-[[1-(1,3-benzothiazol-2-ylmethoxy)-2-naphthoyl]amino]-2-methyl-butyric acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CC(CCNC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C24H22N2O4S/c1-15(24(28)29)12-13-25-23(27)18-11-10-16-6-2-3-7-17(16)22(18)30-14-21-26-19-8-4-5-9-20(19)31-21/h2-11,15H,12-14H2,1H3,(H,25,27)(H,28,29)