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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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 (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC(=NO3)C4=CSC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC(=NO3)C4=CSC=C4)C

InChI

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