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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O3S/c1-25-20(24)15-6-4-7-16(13-15)21-18(23)11-12-26-19-10-9-14-5-2-3-8-17(14)22-19/h2-10,13H,11-12H2,1H3,(H,21,23)