2-[2-(1-benzothiophen-3-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(1-benzothiophen-3-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(benzothiophen-3-ylmethylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(1-benzothiophen-3-ylmethylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(1-benzothiophen-3-ylmethylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(benzothiophen-3-ylmethylamino)-2-keto-ethyl]thio]acetic acid Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CNC(=O)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CNC(=O)CSCC(=O)O

InChI

InChI=1S/C13H13NO3S2/c15-12(7-18-8-13(16)17)14-5-9-6-19-11-4-2-1-3-10(9)11/h1-4,6H,5,7-8H2,(H,14,15)(H,16,17)