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

Systemtic Name: 2-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl]acetic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C18H17N3O4S/c1-25-13-6-7-14-15(9-13)21-18(20-14)26-10-16(22)19-12-4-2-11(3-5-12)8-17(23)24/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,21)(H,23,24)