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

Systemtic Name: 2-[2-benzothiophen-1-yl-(3-methyl-3-sulfanyl-butanoyl)amino]ethanoic acid Openeye Name: 2-[2-benzothiophen-1-yl-(3-methyl-3-sulfanyl-butanoyl)amino]acetic acid CAS Name: 2-[2-benzothiophen-1-yl-(3-mercapto-3-methyl-1-oxobutyl)amino]acetic acid IUPAC Name: 2-[2-benzothiophen-1-yl-(3-methyl-3-sulfanylbutanoyl)amino]acetic acid Traditional Name: 2-[isobenzothiophen-1-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=C2C=CC=CC2=CS1)S

Isomeric SMILES

CC(C)(CC(=O)N(CC(=O)O)C1=C2C=CC=CC2=CS1)S

InChI

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