ethyl 1-[2-[5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(5,5-dioxo-10-phenothiazinyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(5,5-diketophenothiazin-10-yl)acetyl]nipecotic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42

InChI

InChI=1S/C22H24N2O5S/c1-2-29-22(26)16-8-7-13-23(14-16)21(25)15-24-17-9-3-5-11-19(17)30(27,28)20-12-6-4-10-18(20)24/h3-6,9-12,16H,2,7-8,13-15H2,1H3