(2S)-2-azaniumyl-3-(3-methyl-1-benzothiophen-2-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3-methyl-1-benzothiophen-2-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-methylbenzothiophen-2-yl)propanoate CAS Name: (2S)-2-ammonio-3-(3-methyl-1-benzothiophen-2-yl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-methyl-1-benzothiophen-2-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-methylbenzothiophen-2-yl)propionate Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H13NO2S/c1-7-8-4-2-3-5-10(8)16-11(7)6-9(13)12(14)15/h2-5,9H,6,13H2,1H3,(H,14,15)/t9-/m0/s1