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

Systemtic Name: tert-butyl 4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-thiochroman-4-ylpiperazine-1-carboxylate CAS Name: 4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine-1-carboxylate Traditional Name: 4-thiochroman-4-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)C2CCSC3=CC=CC=C23

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCSC3=CC=CC=C23

InChI

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