3-[(2-phenyl-1-benzothiophen-5-yl)methylamino]propanoic acid

Systemtic Name: 3-[(2-phenyl-1-benzothiophen-5-yl)methylamino]propanoic acid Openeye Name: 3-[(2-phenylbenzothiophen-5-yl)methylamino]propanoic acid CAS Name: 3-[(2-phenyl-1-benzothiophen-5-yl)methylamino]propanoic acid IUPAC Name: 3-[(2-phenyl-1-benzothiophen-5-yl)methylamino]propanoic acid Traditional Name: 3-[(2-phenylbenzothiophen-5-yl)methylamino]propionic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O

InChI

InChI=1S/C18H17NO2S/c20-18(21)8-9-19-12-13-6-7-16-15(10-13)11-17(22-16)14-4-2-1-3-5-14/h1-7,10-11,19H,8-9,12H2,(H,20,21)