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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CC1NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClNO3S/c15-10-1-5-12(6-2-10)20-8-7-14(18)19-9-13(17)16-11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17)