(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N2O3S/c21-18(15-10-13-8-4-5-9-14(13)24-15)22-11-16-19-20-17(23-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2