4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoate

Systemtic Name: 4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoate Openeye Name: 4-[(6-nitro-2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoate CAS Name: 4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoate IUPAC Name: 4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoate Traditional Name: 4-[(6-nitro-2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoate Formula: C15H10N3O4S2- MolecularWeight: 360.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

InChI

InChI=1S/C15H11N3O4S2/c19-14(20)9-1-3-10(4-2-9)16-8-17-12-6-5-11(18(21)22)7-13(12)24-15(17)23/h1-7,16H,8H2,(H,19,20)/p-1