3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-thiophen-2-yl-but-3-enoic acid

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-thiophen-2-yl-but-3-enoic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-thienyl)but-3-enoic acid CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-thiophen-2-yl-3-butenoic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-thiophen-2-ylbut-3-enoic acid Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-thienyl)but-3-enoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C(=CC3=CC=CS3)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C(=CC3=CC=CS3)CC(=O)O)OC

InChI

InChI=1S/C18H16N2O5S/c1-23-14-6-5-11(9-15(14)24-2)17-19-18(25-20-17)12(10-16(21)22)8-13-4-3-7-26-13/h3-9H,10H2,1-2H3,(H,21,22)