methyl 3-(2-quinolin-2-ylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 3-(2-quinolin-2-ylsulfanylpropanoylamino)benzoate Openeye Name: methyl 3-[2-(2-quinolylsulfanyl)propanoylamino]benzoate CAS Name: 3-[[1-oxo-2-(2-quinolinylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-quinolin-2-ylsulfanylpropanoylamino)benzoate Traditional Name: 3-[2-(2-quinolylthio)propanoylamino]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O3S/c1-13(26-18-11-10-14-6-3-4-9-17(14)22-18)19(23)21-16-8-5-7-15(12-16)20(24)25-2/h3-13H,1-2H3,(H,21,23)