methyl 5-[(2,4,4,7,7-pentamethyl-5,6-dihydro-1-benzothiophen-3-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(2,4,4,7,7-pentamethyl-5,6-dihydro-1-benzothiophen-3-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(2,4,4,7,7-pentamethyl-5,6-dihydrobenzothiophen-3-yl)methyl]furan-2-carboxylate CAS Name: 5-[(2,4,4,7,7-pentamethyl-5,6-dihydro-1-benzothiophen-3-yl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2,4,4,7,7-pentamethyl-5,6-dihydro-1-benzothiophen-3-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(2,4,4,7,7-pentamethyl-5,6-dihydrobenzothiophen-3-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C(CCC2(C)C)(C)C)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(S1)C(CCC2(C)C)(C)C)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H26O3S/c1-12-14(11-13-7-8-15(23-13)18(21)22-6)16-17(24-12)20(4,5)10-9-19(16,2)3/h7-8H,9-11H2,1-6H3