2-[1-(1,3-benzothiazol-2-ylmethyl)isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-4-isoquinolyl]acetic acid CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)isoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-4-isoquinolyl]acetic acid Formula: C19H14N2O2S MolecularWeight: 334.39166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2CC3=NC4=CC=CC=C4S3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2CC3=NC4=CC=CC=C4S3)CC(=O)O

InChI

InChI=1S/C19H14N2O2S/c22-19(23)9-12-11-20-16(14-6-2-1-5-13(12)14)10-18-21-15-7-3-4-8-17(15)24-18/h1-8,11H,9-10H2,(H,22,23)