tert-butyl 4-[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)carbothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)carbothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-acetoxy-2,5,7,8-tetramethyl-chromane-2-carbothioyl)piperazine-1-carboxylate CAS Name: 4-[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbothioyl)piperazine-1-carboxylate Traditional Name: 4-(6-acetoxy-2,5,7,8-tetramethyl-chroman-2-carbothioyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N2O5S/c1-15-16(2)21-19(17(3)20(15)30-18(4)28)9-10-25(8,31-21)22(33)26-11-13-27(14-12-26)23(29)32-24(5,6)7/h9-14H2,1-8H3