tert-butyl 4-(3,4-dihydro-2H-thiochromen-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3,4-dihydro-2H-thiochromen-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-thiochroman-2-ylpiperazine-1-carboxylate CAS Name: 4-(3,4-dihydro-2H-1-benzothiopyran-2-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3,4-dihydro-2H-thiochromen-2-yl)piperazine-1-carboxylate Traditional Name: 4-thiochroman-2-ylpiperazine-1-carboxylic acid tert-butyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC3=CC=CC=C3S2

InChI

InChI=1S/C18H26N2O2S/c1-18(2,3)22-17(21)20-12-10-19(11-13-20)16-9-8-14-6-4-5-7-15(14)23-16/h4-7,16H,8-13H2,1-3H3