[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CSCC1=CC(=CC=C1)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)CSCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C14H14ClNO3S/c1-2-6-16-13(17)8-19-14(18)10-20-9-11-4-3-5-12(15)7-11/h1,3-5,7H,6,8-10H2,(H,16,17)