tert-butyl N-[(2R)-1-oxidanyl-4-oxidanylidene-4-(4-thioxanthen-9-ylidenepiperidin-1-yl)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-oxidanyl-4-oxidanylidene-4-(4-thioxanthen-9-ylidenepiperidin-1-yl)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(hydroxymethyl)-3-oxo-3-(4-thioxanthen-9-ylidene-1-piperidyl)propyl]carbamate CAS Name: N-[(2R)-1-hydroxy-4-oxo-4-[4-(9-thioxanthenylidene)-1-piperidinyl]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-hydroxy-4-oxo-4-(4-thioxanthen-9-ylidenepiperidin-1-yl)butan-2-yl]carbamate Traditional Name: N-[(1R)-3-keto-1-methylol-3-(4-thioxanthen-9-ylidenepiperidino)propyl]carbamic acid tert-butyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1)CO

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1)CO

InChI

InChI=1S/C27H32N2O4S/c1-27(2,3)33-26(32)28-19(17-30)16-24(31)29-14-12-18(13-15-29)25-20-8-4-6-10-22(20)34-23-11-7-5-9-21(23)25/h4-11,19,30H,12-17H2,1-3H3,(H,28,32)/t19-/m1/s1