[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCC#C

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C16H17N3O3S/c1-3-8-17-15(20)10-22-16(21)9-19-13-7-5-4-6-12(13)18-14(19)11-23-2/h1,4-7H,8-11H2,2H3,(H,17,20)