3-[4-[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoic acid Openeye Name: 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoic acid CAS Name: 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]phenyl]propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NC3=CC=C(C=C3)CCC(=O)O)C)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NC3=CC=C(C=C3)CCC(=O)O)C)O)C

InChI

InChI=1S/C19H20N2O3S/c1-10-11(2)17(24)12(3)18-16(10)21-19(25-18)20-14-7-4-13(5-8-14)6-9-15(22)23/h4-5,7-8,24H,6,9H2,1-3H3,(H,20,21)(H,22,23)