(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H14ClNO3S2 MolecularWeight: 451.94516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl

InChI

InChI=1S/C23H14ClNO3S2/c24-21-14-7-1-4-10-17(14)30-22(21)23(27)28-13-20(26)25-15-8-2-5-11-18(15)29-19-12-6-3-9-16(19)25/h1-12H,13H2