(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CSC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CSC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-2-14-5-6-18-16(9-21(26)28-19(18)8-14)12-27-20(25)10-17-13-29-22(24-17)15-4-3-7-23-11-15/h3-9,11,13H,2,10,12H2,1H3