5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-5-keto-3,3-dimethyl-valeric acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-20(2,12-18(24)25)11-17(23)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-16(15)26-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25)