[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2,3-dimethylphenoxy)ethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2,3-dimethylphenoxy)ethanoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2,3-dimethylphenoxy)acetate CAS Name: 2-(2,3-dimethylphenoxy)acetic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate Traditional Name: 2-(2,3-dimethylphenoxy)acetic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C)C

InChI

InChI=1S/C21H22N2O4S/c1-13-6-5-7-19(15(13)3)26-12-20(25)27-11-18(24)17-10-14(2)23(16(17)4)21-22-8-9-28-21/h5-10H,11-12H2,1-4H3