(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H16N2O3S3 MolecularWeight: 500.61184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C26H16N2O3S3/c29-24(28-17-8-2-5-11-20(17)32-21-12-6-3-9-18(21)28)15-31-26(30)23-14-13-22(33-23)25-27-16-7-1-4-10-19(16)34-25/h1-14H,15H2