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

Systemtic Name: 2-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl]acetic 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)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)CC(=O)O

InChI

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