2-[(3-phenyl-1-benzothiophen-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3-phenyl-1-benzothiophen-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-phenylbenzothiophen-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3-phenyl-1-benzothiophen-2-yl)methylthio]acetic acid IUPAC Name: 2-[(3-phenyl-1-benzothiophen-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-phenylbenzothiophen-2-yl)methylthio]acetic acid Formula: C17H14O2S2 MolecularWeight: 314.42186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC3=CC=CC=C32)CSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC3=CC=CC=C32)CSCC(=O)O

InChI

InChI=1S/C17H14O2S2/c18-16(19)11-20-10-15-17(12-6-2-1-3-7-12)13-8-4-5-9-14(13)21-15/h1-9H,10-11H2,(H,18,19)