methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]acetate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]acetic acid methyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H13N3O3S/c1-18-11(17)6-13-10(16)7-19-12-14-8-4-2-3-5-9(8)15-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)