tert-butyl N-[[1,1-bis(oxidanylidene)-5-phenylmethoxy-3-phenylsulfanyl-2,3-dihydro-1-benzothiophen-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1,1-bis(oxidanylidene)-5-phenylmethoxy-3-phenylsulfanyl-2,3-dihydro-1-benzothiophen-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[(5-benzyloxy-1,1-dioxo-3-phenylsulfanyl-2,3-dihydrobenzothiophen-4-yl)methyl]carbamate CAS Name: N-[[1,1-dioxo-5-phenylmethoxy-3-(phenylthio)-2,3-dihydro-1-benzothiophen-4-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1,1-dioxo-5-phenylmethoxy-3-phenylsulfanyl-2,3-dihydro-1-benzothiophen-4-yl)methyl]carbamate Traditional Name: N-[[5-benzoxy-1,1-diketo-3-(phenylthio)-2,3-dihydrobenzothiophen-4-yl]methyl]carbamic acid tert-butyl ester Formula: C27H29NO5S2 MolecularWeight: 511.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1C(CS2(=O)=O)SC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1C(CS2(=O)=O)SC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO5S2/c1-27(2,3)33-26(29)28-16-21-22(32-17-19-10-6-4-7-11-19)14-15-24-25(21)23(18-35(24,30)31)34-20-12-8-5-9-13-20/h4-15,23H,16-18H2,1-3H3,(H,28,29)