[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O3S/c1-13-10-17(14(2)24(13)11-15-6-5-9-28-15)19(25)12-27-21(26)20-16-7-3-4-8-18(16)22-23-20/h3-10H,11-12H2,1-2H3,(H,22,23)