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

Systemtic Name: methyl 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O3S/c1-12-3-8-15-16(9-12)22-19(21-15)26-11-17(23)20-10-13-4-6-14(7-5-13)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)