4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19N3O4S/c1-2-26-14-7-8-15-16(9-14)22-19(21-15)27-11-17(23)20-10-12-3-5-13(6-4-12)18(24)25/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)