4-[(2-quinolin-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-quinolin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: 4-[[[2-(2-quinolylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-quinolinylthio)ethyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-quinolin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-quinolylthio)acetyl]amino]methyl]benzoate Formula: C19H15N2O3S- MolecularWeight: 351.399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H16N2O3S/c22-17(20-11-13-5-7-15(8-6-13)19(23)24)12-25-18-10-9-14-3-1-2-4-16(14)21-18/h1-10H,11-12H2,(H,20,22)(H,23,24)/p-1