(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C31H23N3O4S MolecularWeight: 533.59702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C31H23N3O4S/c1-37-23-17-15-21(16-18-23)30-24(19-33(32-30)22-9-3-2-4-10-22)31(36)38-20-29(35)34-25-11-5-7-13-27(25)39-28-14-8-6-12-26(28)34/h2-19H,20H2,1H3