tert-butyl 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoate hydrochloride

Systemtic Name: tert-butyl 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoate hydrochloride Openeye Name: tert-butyl 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoate hydrochloride CAS Name: 2-[2-[(4-chlorophenyl)thio]ethylamino]butanoic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoate hydrochloride Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethylamino]butyric acid tert-butyl ester hydrochloride Formula: C16H25Cl2NO2S MolecularWeight: 366.3462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)NCCSC1=CC=C(C=C1)Cl.Cl

Isomeric SMILES

CCC(C(=O)OC(C)(C)C)NCCSC1=CC=C(C=C1)Cl.Cl

InChI

InChI=1S/C16H24ClNO2S.ClH/c1-5-14(15(19)20-16(2,3)4)18-10-11-21-13-8-6-12(17)7-9-13;/h6-9,14,18H,5,10-11H2,1-4H3;1H