(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H21NO4S MolecularWeight: 479.54634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C29H21NO4S/c1-19-14-16-20(17-15-19)28(32)21-8-2-3-9-22(21)29(33)34-18-27(31)30-23-10-4-6-12-25(23)35-26-13-7-5-11-24(26)30/h2-17H,18H2,1H3