[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic 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)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)CCSC1=CC=C(C=C1)Cl

InChI

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