methyl 4-[(4-aminocarbonylquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-aminocarbonylquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-carbamoyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-carbamoyl-2-quinolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-carbamoylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-carbamoyl-2-quinolyl)thio]methyl]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)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

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

InChI

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