O1-(1H-benzimidazol-2-ylsulfanyl) O4-(phenylmethyl) 2-ethylbutanedioate

Systemtic Name: O1-(1H-benzimidazol-2-ylsulfanyl) O4-(phenylmethyl) 2-ethylbutanedioate Openeye Name: O1-(1H-benzimidazol-2-ylsulfanyl) O4-benzyl 2-ethylbutanedioate CAS Name: 2-ethylbutanedioic acid O1-(1H-benzimidazol-2-ylthio) ester O4-(phenylmethyl) ester IUPAC Name: 1-O-(1H-benzimidazol-2-ylsulfanyl) 4-O-benzyl 2-ethylbutanedioate Traditional Name: 2-ethylsuccinic acid O1-(1H-benzimidazol-2-ylthio) ester O4-benzyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OCC1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC(CC(=O)OCC1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H20N2O4S/c1-2-15(12-18(23)25-13-14-8-4-3-5-9-14)19(24)26-27-20-21-16-10-6-7-11-17(16)22-20/h3-11,15H,2,12-13H2,1H3,(H,21,22)