2-(1,3-benzothiazol-2-ylamino)-3-phenyl-propanoic acid hydrochloride

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-3-phenyl-propanoic acid hydrochloride Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-3-phenyl-propanoic acid hydrochloride CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-phenylpropanoic acid hydrochloride IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-3-phenylpropanoic acid hydrochloride Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-3-phenyl-propionic acid hydrochloride Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC3=CC=CC=C3S2.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC3=CC=CC=C3S2.Cl

InChI

InChI=1S/C16H14N2O2S.ClH/c19-15(20)13(10-11-6-2-1-3-7-11)18-16-17-12-8-4-5-9-14(12)21-16;/h1-9,13H,10H2,(H,17,18)(H,19,20);1H