2-(1H-benzimidazol-2-ylsulfanyl)-2,3-diethyl-butanedioic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-2,3-diethyl-butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-2,3-diethyl-butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-2,3-diethylbutanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-2,3-diethylbutanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-2,3-diethyl-succinic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-3-9(12(18)19)15(4-2,13(20)21)22-14-16-10-7-5-6-8-11(10)17-14/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)