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

Systemtic Name: 2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(3-methylbenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(3-methylbenzothiophene-2-carbonyl)amino]propionic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H13NO4S/c1-7-8-4-2-3-5-10(8)19-11(7)12(16)14-9(6-15)13(17)18/h2-5,9,15H,6H2,1H3,(H,14,16)(H,17,18)