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

Systemtic Name: methyl 4-[(2-quinolin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[[2-(2-quinolylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-quinolinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-quinolin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-quinolylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

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