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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H16N2O6S MolecularWeight: 412.41584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC3=NC(=NO3)C4=CSC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC3=NC(=NO3)C4=CSC=C4)O

InChI

InChI=1S/C20H16N2O6S/c1-11-15(23)3-2-14-13(8-18(25)27-19(11)14)9-26-17(24)5-4-16-21-20(22-28-16)12-6-7-29-10-12/h2-3,6-8,10,23H,4-5,9H2,1H3