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

Systemtic Name: 4-[[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)C(=O)O)C)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)C(=O)O)C)O)C

InChI

InChI=1S/C18H18N2O3S/c1-9-10(2)15(21)11(3)16-14(9)20-18(24-16)19-8-12-4-6-13(7-5-12)17(22)23/h4-7,21H,8H2,1-3H3,(H,19,20)(H,22,23)