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

Systemtic Name: methyl 4-(2-quinolin-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[[2-(2-quinolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-quinolin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(2-quinolylthio)acetyl]amino]benzoic acid methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S/c1-24-19(23)14-6-9-15(10-7-14)20-17(22)12-25-18-11-8-13-4-2-3-5-16(13)21-18/h2-11H,12H2,1H3,(H,20,22)