[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylsulfanyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylsulfanyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-[4-(4-fluorophenyl)piperazine-1-carbonyl]sulfanyl-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]thio]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazine-1-carbonyl]sulfanyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]thio]-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C26H31FN2O4S MolecularWeight: 486.598743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)SC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)SC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN2O4S/c1-16-17(2)24-22(18(3)23(16)32-19(4)30)10-11-26(5,33-24)34-25(31)29-14-12-28(13-15-29)21-8-6-20(27)7-9-21/h6-9H,10-15H2,1-5H3