(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-dimethylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-dimethylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C23H19NO3S/c1-15-11-16(2)13-17(12-15)23(26)27-14-22(25)24-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)24/h3-13H,14H2,1-2H3