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

Systemtic Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloranyl-naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-naphthalene-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-2-naphthalenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-2-naphthoyl]amino]-2-methyl-propionic acid Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O4S/c1-23(2,22(28)29)26-21(27)15-11-16(24)13-7-3-4-8-14(13)20(15)30-12-19-25-17-9-5-6-10-18(17)31-19/h3-11H,12H2,1-2H3,(H,26,27)(H,28,29)