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

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H22N2O4S/c1-5-23-13(2)10-17(14(23)3)19(24)11-27-21(25)18-12-28-20(22-18)15-6-8-16(26-4)9-7-15/h6-10,12H,5,11H2,1-4H3