2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-2-phenyl-acetic acid Formula: C15H10N2O4S2 MolecularWeight: 346.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S2/c18-14(19)13(9-4-2-1-3-5-9)23-15-16-11-7-6-10(17(20)21)8-12(11)22-15/h1-8,13H,(H,18,19)