2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-methylbenzothiophene-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-methylbenzothiophene-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C15H17NO3S2 MolecularWeight: 323.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S2/c1-9-10-5-3-4-6-12(10)21-13(9)14(17)16-11(15(18)19)7-8-20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H,18,19)