4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-21-12-6-7-13-14(8-12)22-16(18-13)17-9-10-2-4-11(5-3-10)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)