ethanedioic acid; ethyl 2-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-methoxy-benzoate

Systemtic Name: ethanedioic acid; ethyl 2-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-methoxy-benzoate Openeye Name: ethyl 2-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-4-methoxy-benzoate; oxalic acid CAS Name: 2-[4-(1-azepanyl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-methoxybenzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-methoxybenzoate; oxalic acid Traditional Name: 2-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-4-methoxy-benzoic acid ethyl ester; oxalic acid Formula: C25H33N3O8S MolecularWeight: 535.60982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)OC)C2N(OC(N2N3CCCCCC3)C4=CC=CS4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)OC)C2N(OC(N2N3CCCCCC3)C4=CC=CS4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O4S.C2H2O4/c1-4-29-23(27)18-12-11-17(28-3)16-19(18)21-24(2)30-22(20-10-9-15-31-20)26(21)25-13-7-5-6-8-14-25;3-1(4)2(5)6/h9-12,15-16,21-22H,4-8,13-14H2,1-3H3;(H,3,4)(H,5,6)