ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O2S.C2H2O4/c1-2-22-16-7-5-15(6-8-16)14-19-9-11-20(12-10-19)18(21)17-4-3-13-23-17;3-1(4)2(5)6/h3-8,13H,2,9-12,14H2,1H3;(H,3,4)(H,5,6)