(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H20ClNO3S2 MolecularWeight: 518.0463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H20ClNO3S2/c29-21-13-15-22(16-14-21)34-18-19-9-11-20(12-10-19)28(32)33-17-27(31)30-23-5-1-3-7-25(23)35-26-8-4-2-6-24(26)30/h1-16H,17-18H2