[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic 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] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)OC

InChI

InChI=1S/C20H23ClN2O5S/c1-26-15-9-14(10-16(11-15)27-2)20(25)28-13-19(24)23-7-5-22(6-8-23)12-17-3-4-18(21)29-17/h3-4,9-11H,5-8,12-13H2,1-2H3