(2R)-2-(2-ethylsulfanylbenzimidazol-1-yl)butanedioate

Systemtic Name: (2R)-2-(2-ethylsulfanylbenzimidazol-1-yl)butanedioate Openeye Name: (2R)-2-(2-ethylsulfanylbenzimidazol-1-yl)butanedioate CAS Name: (2R)-2-[2-(ethylthio)-1-benzimidazolyl]butanedioate IUPAC Name: (2R)-2-(2-ethylsulfanylbenzimidazol-1-yl)butanedioate Traditional Name: (2R)-2-[2-(ethylthio)benzimidazol-1-yl]succinate Formula: C13H12N2O4S-2 MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-2-20-13-14-8-5-3-4-6-9(8)15(13)10(12(18)19)7-11(16)17/h3-6,10H,2,7H2,1H3,(H,16,17)(H,18,19)/p-2/t10-/m1/s1