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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O6S/c1-12-14-6-5-13(26-2)10-16(14)28-21(25)15(12)7-8-19(24)27-11-18-22-20(23-29-18)17-4-3-9-30-17/h3-6,9-10H,7-8,11H2,1-2H3