(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H19N3O3S2 MolecularWeight: 497.58806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C27H19N3O3S2/c1-17-19-15-24(35-26(19)30(28-17)18-9-3-2-4-10-18)27(32)33-16-25(31)29-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)29/h2-15H,16H2,1H3