O1-(1H-benzimidazol-2-ylsulfanyl) O4-phenyl 2-methylbutanedioate

Systemtic Name: O1-(1H-benzimidazol-2-ylsulfanyl) O4-phenyl 2-methylbutanedioate Openeye Name: O1-(1H-benzimidazol-2-ylsulfanyl) O4-phenyl 2-methylbutanedioate CAS Name: 2-methylbutanedioic acid O1-(1H-benzimidazol-2-ylthio) ester O4-phenyl ester IUPAC Name: 1-O-(1H-benzimidazol-2-ylsulfanyl) 4-O-phenyl 2-methylbutanedioate Traditional Name: 2-methylsuccinic acid O1-(1H-benzimidazol-2-ylthio) ester O4-phenyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(CC(=O)OC1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O4S/c1-12(11-16(21)23-13-7-3-2-4-8-13)17(22)24-25-18-19-14-9-5-6-10-15(14)20-18/h2-10,12H,11H2,1H3,(H,19,20)