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

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C19H19N3O3S/c1-11-5-6-15-14(8-11)9-16(26-15)19(23)24-12(2)18-21-17(22-25-18)13-4-3-7-20-10-13/h3-4,7,9-12H,5-6,8H2,1-2H3