propan-2-yl 3-(2-quinolin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: propan-2-yl 3-(2-quinolin-2-ylsulfanylethanoylamino)benzoate Openeye Name: isopropyl 3-[[2-(2-quinolylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(2-quinolin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(2-quinolylthio)acetyl]amino]benzoic acid isopropyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3S/c1-14(2)26-21(25)16-7-5-8-17(12-16)22-19(24)13-27-20-11-10-15-6-3-4-9-18(15)23-20/h3-12,14H,13H2,1-2H3,(H,22,24)