methyl 2-[2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[5-(1H-benzimidazol-2-yl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H18N4O3S/c1-29-22(28)15-6-2-3-7-16(15)24-19(27)13-30-20-11-10-14(12-23-20)21-25-17-8-4-5-9-18(17)26-21/h2-12H,13H2,1H3,(H,24,27)(H,25,26)