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

Systemtic Name: 2-azanyl-3-[3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]phenyl]propionic acid Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC(C(=O)O)N

InChI

InChI=1S/C17H16N4O4S/c18-13(16(22)23)7-10-2-1-3-11(6-10)9-26-17-19-14-5-4-12(21(24)25)8-15(14)20-17/h1-6,8,13H,7,9,18H2,(H,19,20)(H,22,23)