diethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethyl-butanedioate

Systemtic Name: diethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethyl-butanedioate Openeye Name: diethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethyl-butanedioate CAS Name: 2-(1H-benzimidazol-2-ylthio)-3-ethylbutanedioic acid diethyl ester IUPAC Name: diethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethylbutanedioate Traditional Name: 2-(1H-benzimidazol-2-ylthio)-3-ethyl-succinic acid diethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)OCC)SC1=NC2=CC=CC=C2N1)C(=O)OCC

Isomeric SMILES

CCC(C(C(=O)OCC)SC1=NC2=CC=CC=C2N1)C(=O)OCC

InChI

InChI=1S/C17H22N2O4S/c1-4-11(15(20)22-5-2)14(16(21)23-6-3)24-17-18-12-9-7-8-10-13(12)19-17/h7-11,14H,4-6H2,1-3H3,(H,18,19)