4-(2-isoquinolin-1-ylsulfanylethanoylamino)benzoate

Systemtic Name: 4-(2-isoquinolin-1-ylsulfanylethanoylamino)benzoate Openeye Name: 4-[[2-(1-isoquinolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-isoquinolinylthio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[(2-isoquinolin-1-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(1-isoquinolylthio)acetyl]amino]benzoate Formula: C18H13N2O3S- MolecularWeight: 337.37242

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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)/p-1