2-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(4-fluoro-3-methyl-benzothiophene-2-carbonyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(4-fluoro-3-methyl-benzothiophene-2-carbonyl)amino]-3-hydroxy-propionic acid Formula: C13H12FNO4S MolecularWeight: 297.302083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12FNO4S/c1-6-10-7(14)3-2-4-9(10)20-11(6)12(17)15-8(5-16)13(18)19/h2-4,8,16H,5H2,1H3,(H,15,17)(H,18,19)