2-[1-benzothiophen-2-yl-(3-methyl-3-sulfanyl-butanoyl)amino]ethanoic acid

Systemtic Name: 2-[1-benzothiophen-2-yl-(3-methyl-3-sulfanyl-butanoyl)amino]ethanoic acid Openeye Name: 2-[benzothiophen-2-yl-(3-methyl-3-sulfanyl-butanoyl)amino]acetic acid CAS Name: 2-[1-benzothiophen-2-yl-(3-mercapto-3-methyl-1-oxobutyl)amino]acetic acid IUPAC Name: 2-[1-benzothiophen-2-yl-(3-methyl-3-sulfanylbutanoyl)amino]acetic acid Traditional Name: 2-[benzothiophen-2-yl-(3-mercapto-3-methyl-butanoyl)amino]acetic acid Formula: C15H17NO3S2 MolecularWeight: 323.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N(CC(=O)O)C1=CC2=CC=CC=C2S1)S

Isomeric SMILES

CC(C)(CC(=O)N(CC(=O)O)C1=CC2=CC=CC=C2S1)S

InChI

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