3-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[(3-methylbenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-[(3-methylbenzothiophene-2-carbonyl)amino]propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H13NO3S/c1-8-9-4-2-3-5-10(9)18-12(8)13(17)14-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16)