(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H16N6O5S2 MolecularWeight: 520.54034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C23H16N6O5S2/c1-27-23(24-25-26-27)36-20-11-10-14(12-17(20)29(32)33)22(31)34-13-21(30)28-15-6-2-4-8-18(15)35-19-9-5-3-7-16(19)28/h2-12H,13H2,1H3