methyl 4-[(2-quinolin-8-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-quinolin-8-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[[2-(8-quinolylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(8-quinolinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-quinolin-8-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(8-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=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC3=C2N=CC=C3

InChI

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