butyl 3-(2-quinolin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: butyl 3-(2-quinolin-2-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 3-[[2-(2-quinolylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(2-quinolin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(2-quinolylthio)acetyl]amino]benzoic acid butyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3S/c1-2-3-13-27-22(26)17-8-6-9-18(14-17)23-20(25)15-28-21-12-11-16-7-4-5-10-19(16)24-21/h4-12,14H,2-3,13,15H2,1H3,(H,23,25)