[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O4S/c1-12-16(13(2)25-21-12)10-26-11-18(23)24-9-17(22)20-8-7-14-3-5-15(19)6-4-14/h3-6H,7-11H2,1-2H3,(H,20,22)