ethanedioic acid; [1-[4-(3-ethanoyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-2-yl] ethanoate

Systemtic Name: ethanedioic acid; [1-[4-(3-ethanoyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-2-yl] ethanoate Openeye Name: [1-[[4-(3-acetyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]methyl]-2-(p-tolylsulfanyl)ethyl] acetate; oxalic acid CAS Name: acetic acid [1-[4-(3-acetyl-2-oxo-1-benzimidazolyl)-1-piperidinyl]-3-[(4-methylphenyl)thio]propan-2-yl] ester; oxalic acid IUPAC Name: [1-[4-(3-acetyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-(4-methylphenyl)sulfanylpropan-2-yl] acetate; oxalic acid Traditional Name: acetic acid [1-[[4-(3-acetyl-2-keto-benzimidazol-1-yl)piperidino]methyl]-2-(p-tolylthio)ethyl] ester; oxalic acid Formula: C28H33N3O8S MolecularWeight: 571.64192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)C(=O)C)OC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)C(=O)C)OC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3O4S.C2H2O4/c1-18-8-10-23(11-9-18)34-17-22(33-20(3)31)16-27-14-12-21(13-15-27)29-25-7-5-4-6-24(25)28(19(2)30)26(29)32;3-1(4)2(5)6/h4-11,21-22H,12-17H2,1-3H3;(H,3,4)(H,5,6)