2-azanyl-3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]phenyl]propionic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

InChI

InChI=1S/C18H19N3O3S/c1-24-13-5-6-15-16(9-13)21-18(20-15)25-10-12-4-2-3-11(7-12)8-14(19)17(22)23/h2-7,9,14H,8,10,19H2,1H3,(H,20,21)(H,22,23)