(4-butoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-6-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 4,4-dimethylthiochromane-6-carboxylate CAS Name: 4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-carboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 4,4-dimethylthiochroman-6-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C23H26O4S/c1-4-5-13-26-21(24)16-6-9-18(10-7-16)27-22(25)17-8-11-20-19(15-17)23(2,3)12-14-28-20/h6-11,15H,4-5,12-14H2,1-3H3