(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=NC(=NO3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=NC(=NO3)C4=CC=CS4)C

InChI

InChI=1S/C21H18N2O5S/c1-12-8-15-14(10-20(25)27-16(15)9-13(12)2)11-26-19(24)6-5-18-22-21(23-28-18)17-4-3-7-29-17/h3-4,7-10H,5-6,11H2,1-2H3