[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O3S/c1-4-18-20(28-23-22-18)21(26)27-13-19(25)17-12-14(2)24(15(17)3)11-10-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3