4-(2-isoquinolin-1-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-isoquinolin-1-ylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[[2-(1-isoquinolylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(1-isoquinolinylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[(2-isoquinolin-1-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(1-isoquinolylthio)acetyl]amino]benzoic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N2O3S/c21-16(20-14-7-5-13(6-8-14)18(22)23)11-24-17-15-4-2-1-3-12(15)9-10-19-17/h1-10H,11H2,(H,20,21)(H,22,23)