ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-3-24-17-13-15(6-7-16(17)23-2)14-20-8-10-21(11-9-20)19(22)18-5-4-12-25-18;3-1(4)2(5)6/h4-7,12-13H,3,8-11,14H2,1-2H3;(H,3,4)(H,5,6)