[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSCC(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSCC(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C20H17ClN2O3S/c21-15-5-1-4-14(10-15)12-27-13-20(25)26-11-19(24)23-18-8-2-7-17-16(18)6-3-9-22-17/h1-10H,11-13H2,(H,23,24)