1-(2-methylpropylsulfanyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-methylpropylsulfanyl)isoquinoline-3-carboxylic acid Openeye Name: 1-isobutylsulfanylisoquinoline-3-carboxylic acid CAS Name: 1-(2-methylpropylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methylpropylsulfanyl)isoquinoline-3-carboxylic acid Traditional Name: 1-(isobutylthio)isoquinoline-3-carboxylic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CSC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H15NO2S/c1-9(2)8-18-13-11-6-4-3-5-10(11)7-12(15-13)14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)