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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N2O4S/c1-5-10-24-14(2)11-18(15(24)3)20(25)12-28-22(26)19-13-29-21(23-19)16-6-8-17(27-4)9-7-16/h5-9,11,13H,1,10,12H2,2-4H3