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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

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