[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O4S/c21-17-7-6-16(29-17)13-23-8-10-24(11-9-23)18(25)14-28-19(26)12-22-20(27)15-4-2-1-3-5-15/h1-7H,8-14H2,(H,22,27)