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

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

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