[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-15-11-20(23-18-10-6-5-9-17(15)18)27-14-21(25)26-13-19(24)22-12-16-7-3-2-4-8-16/h2-11H,12-14H2,1H3,(H,22,24)