3-(4-tert-butylphenoxy)propyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: 3-(4-tert-butylphenoxy)propyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 3-(4-tert-butylphenoxy)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 3-(4-tert-butylphenoxy)propyl ester IUPAC Name: 3-(4-tert-butylphenoxy)propyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 3-(4-tert-butylphenoxy)propyl ester Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCOC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCOC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C22H28O3S/c1-22(2,3)17-9-11-18(12-10-17)24-13-6-14-25-21(23)20-15-16-7-4-5-8-19(16)26-20/h9-12,15H,4-8,13-14H2,1-3H3