2-[4-(aminomethyl)phenyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[4-(aminomethyl)phenyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[4-(aminomethyl)phenyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[4-(aminomethyl)phenyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[4-(aminomethyl)phenyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[4-(aminomethyl)phenyl]-1,3-benzothiazole-6-carboxylic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)C2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)C2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C15H12N2O2S/c16-8-9-1-3-10(4-2-9)14-17-12-6-5-11(15(18)19)7-13(12)20-14/h1-7H,8,16H2,(H,18,19)