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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-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 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O3S/c1-12-7-8-15-14(9-12)10-16(25-15)19(22)23-11-17-20-21-18(24-17)13-5-3-2-4-6-13/h2-6,10,12H,7-9,11H2,1H3