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

Systemtic Name: 2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(3-methylbenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(3-methylbenzothiophene-2-carbonyl)amino]butyric acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S/c1-7-9-5-3-4-6-10(9)20-12(7)13(17)15-11(8(2)16)14(18)19/h3-6,8,11,16H,1-2H3,(H,15,17)(H,18,19)