2-(3-oxidanylidene-2-thiophen-2-yl-piperazin-1-yl)ethyl 2-(4-chloranylphenoxy)ethanoate hydrochloride

Systemtic Name: 2-(3-oxidanylidene-2-thiophen-2-yl-piperazin-1-yl)ethyl 2-(4-chloranylphenoxy)ethanoate hydrochloride Openeye Name: 2-[3-oxo-2-(2-thienyl)piperazin-1-yl]ethyl 2-(4-chlorophenoxy)acetate hydrochloride CAS Name: 2-(4-chlorophenoxy)acetic acid 2-(3-oxo-2-thiophen-2-yl-1-piperazinyl)ethyl ester hydrochloride IUPAC Name: 2-(3-oxo-2-thiophen-2-ylpiperazin-1-yl)ethyl 2-(4-chlorophenoxy)acetate hydrochloride Traditional Name: 2-(4-chlorophenoxy)acetic acid 2-[3-keto-2-(2-thienyl)piperazino]ethyl ester hydrochloride Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CS2)CCOC(=O)COC3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CS2)CCOC(=O)COC3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C18H19ClN2O4S.ClH/c19-13-3-5-14(6-4-13)25-12-16(22)24-10-9-21-8-7-20-18(23)17(21)15-2-1-11-26-15;/h1-6,11,17H,7-10,12H2,(H,20,23);1H