(2-chloranylquinolin-3-yl)methyl 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-14-5-4-7-17(9-14)23-19(25)12-28-13-20(26)27-11-16-10-15-6-2-3-8-18(15)24-21(16)22/h2-10H,11-13H2,1H3,(H,23,25)