methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C20H21N3O4S/c1-12(28-20-22-16-9-8-15(26-2)10-17(16)23-20)18(24)21-11-13-4-6-14(7-5-13)19(25)27-3/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)