[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic 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] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic 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=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)OC(C)C

InChI

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