1-thiophen-2-ylsulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-thiophen-2-ylsulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(2-thienylsulfanyl)isoquinoline-3-carboxylic acid CAS Name: 1-(thiophen-2-ylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-thiophen-2-ylsulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(2-thienylthio)isoquinoline-3-carboxylic acid Formula: C14H9NO2S2 MolecularWeight: 287.35676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H9NO2S2/c16-14(17)11-8-9-4-1-2-5-10(9)13(15-11)19-12-6-3-7-18-12/h1-8H,(H,16,17)