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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H16ClNO3S/c1-2-9-17-14(18)11-20-15(19)4-3-10-21-13-7-5-12(16)6-8-13/h1,5-8H,3-4,9-11H2,(H,17,18)