3-[[4-[(phenylmethyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-[(phenylmethyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(benzylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-[(phenylmethyl)amino]-1,3-benzothiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-(benzylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(benzylamino)-1,3-benzothiazol-2-yl]thio]propionic acid Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C(=CC=C2)SC(=N3)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C(=CC=C2)SC(=N3)SCCC(=O)O

InChI

InChI=1S/C17H16N2O2S2/c20-15(21)9-10-22-17-19-16-13(7-4-8-14(16)23-17)18-11-12-5-2-1-3-6-12/h1-8,18H,9-11H2,(H,20,21)