tert-butyl [2-methoxy-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate

Systemtic Name: tert-butyl [2-methoxy-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate Openeye Name: tert-butyl [2-methoxy-4-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methoxy-4-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] ester IUPAC Name: tert-butyl [2-methoxy-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methoxy-4-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]phenyl] ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CSC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CSC=C3)OC

InChI

InChI=1S/C23H32N2O4S/c1-23(2,3)29-22(26)28-20-7-6-18(14-21(20)27-4)15-24-9-5-10-25(12-11-24)16-19-8-13-30-17-19/h6-8,13-14,17H,5,9-12,15-16H2,1-4H3