phenethyl 6-oxidanylidene-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

Systemtic Name: phenethyl 6-oxidanylidene-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate Openeye Name: phenethyl 2-isopropyl-6-oxo-5-[2-(4-pyridyl)thiazol-4-yl]-1H-pyridine-3-carboxylate CAS Name: 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-4-thiazolyl)-1H-pyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate Traditional Name: 2-isopropyl-6-keto-5-[2-(4-pyridyl)thiazol-4-yl]-1H-pyridine-3-carboxylic acid phenethyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=O)N1)C2=CSC(=N2)C3=CC=NC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=C(C(=O)N1)C2=CSC(=N2)C3=CC=NC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-16(2)22-20(25(30)31-13-10-17-6-4-3-5-7-17)14-19(23(29)28-22)21-15-32-24(27-21)18-8-11-26-12-9-18/h3-9,11-12,14-16H,10,13H2,1-2H3,(H,28,29)