1-(furan-2-ylmethylsulfanyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(furan-2-ylmethylsulfanyl)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-furylmethylsulfanyl)isoquinoline-3-carboxylic acid CAS Name: 1-(2-furanylmethylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(furan-2-ylmethylsulfanyl)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-furfurylthio)isoquinoline-3-carboxylic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2SCC3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C15H11NO3S/c17-15(18)13-8-10-4-1-2-6-12(10)14(16-13)20-9-11-5-3-7-19-11/h1-8H,9H2,(H,17,18)