(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NOC(=N3)C4=CSC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NOC(=N3)C4=CSC=C4)OCC

InChI

InChI=1S/C25H22N2O6S/c1-3-30-20-10-9-16(13-21(20)31-4-2)23(28)18-7-5-6-8-19(18)25(29)32-14-22-26-24(33-27-22)17-11-12-34-15-17/h5-13,15H,3-4,14H2,1-2H3