(2,6-dithiophen-2-ylthian-4-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (2,6-dithiophen-2-ylthian-4-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2,6-bis(2-thienyl)tetrahydrothiopyran-4-yl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid (2,6-dithiophen-2-yl-4-thianyl) ester IUPAC Name: (2,6-dithiophen-2-ylthian-4-yl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid [2,6-bis(2-thienyl)tetrahydrothiopyran-4-yl] ester Formula: C27H32O3S3 MolecularWeight: 500.73618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCC(=O)OC2CC(SC(C2)C3=CC=CS3)C4=CC=CS4)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCC(=O)OC2CC(SC(C2)C3=CC=CS3)C4=CC=CS4)C(C)(C)C)O

InChI

InChI=1S/C27H32O3S3/c1-17-13-18(14-20(26(17)29)27(2,3)4)9-10-25(28)30-19-15-23(21-7-5-11-31-21)33-24(16-19)22-8-6-12-32-22/h5-8,11-14,19,23-24,29H,9-10,15-16H2,1-4H3