2-[[1-[(5-chloranyl-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[1-[(5-chloranyl-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[1-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]naphthalene-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[1-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-naphthalenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[1-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[1-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-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)OCC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=NC4=C(S3)C=CC(=C4)Cl

InChI

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