(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-nitrothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-nitrothiophene-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C19H12N2O5S2 MolecularWeight: 412.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O5S2/c22-17(11-26-19(23)16-9-10-18(28-16)21(24)25)20-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)20/h1-10H,11H2