ethyl 2-[2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]acetyl]amino]acetic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=C(C=CC=N1)C2=NC3=C(N2)C=C(C(=C3)C)C

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=C(C=CC=N1)C2=NC3=C(N2)C=C(C(=C3)C)C

InChI

InChI=1S/C20H22N4O3S/c1-4-27-18(26)10-22-17(25)11-28-20-14(6-5-7-21-20)19-23-15-8-12(2)13(3)9-16(15)24-19/h5-9H,4,10-11H2,1-3H3,(H,22,25)(H,23,24)