tert-butyl 4-[[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-2-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-2-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(1,1-diketo-3,4-dihydro-2H-thiochromen-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2CCC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2CCC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H29NO4S/c1-20(2,3)25-19(22)21-12-10-15(11-13-21)14-17-9-8-16-6-4-5-7-18(16)26(17,23)24/h4-7,15,17H,8-14H2,1-3H3