[2,5,7,8-tetramethyl-2-(phenylcarbamothioyl)-3,4-dihydrochromen-6-yl] hexanoate

Systemtic Name: [2,5,7,8-tetramethyl-2-(phenylcarbamothioyl)-3,4-dihydrochromen-6-yl] hexanoate Openeye Name: [2,5,7,8-tetramethyl-2-(phenylcarbamothioyl)chroman-6-yl] hexanoate CAS Name: hexanoic acid [2-[anilino(sulfanylidene)methyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,5,7,8-tetramethyl-2-(phenylcarbamothioyl)-3,4-dihydrochromen-6-yl] hexanoate Traditional Name: hexanoic acid [2,5,7,8-tetramethyl-2-(phenylthiocarbamoyl)chroman-6-yl] ester Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=C2C(=C1C)CCC(O2)(C)C(=S)NC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=C2C(=C1C)CCC(O2)(C)C(=S)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C26H33NO3S/c1-6-7-9-14-22(28)29-23-17(2)18(3)24-21(19(23)4)15-16-26(5,30-24)25(31)27-20-12-10-8-11-13-20/h8,10-13H,6-7,9,14-16H2,1-5H3,(H,27,31)