[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H26N4O4S/c1-19-27(28(35)32(30(19)2)20-10-4-3-5-11-20)29-25(33)18-36-26(34)16-17-31-21-12-6-8-14-23(21)37-24-15-9-7-13-22(24)31/h3-15H,16-18H2,1-2H3,(H,29,33)