4-azanyl-3-(5-methyl-1-benzothiophen-2-yl)butanoic acid

Systemtic Name: 4-azanyl-3-(5-methyl-1-benzothiophen-2-yl)butanoic acid Openeye Name: 4-amino-3-(5-methylbenzothiophen-2-yl)butanoic acid CAS Name: 4-amino-3-(5-methyl-1-benzothiophen-2-yl)butanoic acid IUPAC Name: 4-amino-3-(5-methyl-1-benzothiophen-2-yl)butanoic acid Traditional Name: 4-amino-3-(5-methylbenzothiophen-2-yl)butyric acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2)C(CC(=O)O)CN

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2)C(CC(=O)O)CN

InChI

InChI=1S/C13H15NO2S/c1-8-2-3-11-9(4-8)5-12(17-11)10(7-14)6-13(15)16/h2-5,10H,6-7,14H2,1H3,(H,15,16)