methyl 4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-24-16(23)10-2-5-12(6-3-10)19-15(22)9-25-17-20-13-7-4-11(18)8-14(13)21-17/h2-8H,9H2,1H3,(H,19,22)(H,20,21)