(phenylmethyl) 2-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]ethanoate Openeye Name: benzyl 2-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]acetate CAS Name: 2-[[4-(1H-benzimidazol-2-ylthio)-1-oxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]acetate Traditional Name: 2-[4-(1H-benzimidazol-2-ylthio)butanoylamino]acetic acid benzyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3S/c24-18(21-13-19(25)26-14-15-7-2-1-3-8-15)11-6-12-27-20-22-16-9-4-5-10-17(16)23-20/h1-5,7-10H,6,11-14H2,(H,21,24)(H,22,23)