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

Systemtic Name: methyl 4-[[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-25-17(24)12-4-2-11(3-5-12)9-20-16(23)10-26-18-21-14-7-6-13(19)8-15(14)22-18/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)