tert-butyl N-[2-[[5-(2-bromanylprop-2-enoylamino)-1-benzothiophen-2-yl]carbonylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[5-(2-bromanylprop-2-enoylamino)-1-benzothiophen-2-yl]carbonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[5-(2-bromoprop-2-enoylamino)benzothiophene-2-carbonyl]amino]ethyl]carbamate CAS Name: N-[2-[[[5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-benzothiophen-2-yl]-oxomethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[5-(2-bromoprop-2-enoylamino)-1-benzothiophene-2-carbonyl]amino]ethyl]carbamate Traditional Name: N-[2-[[5-[(2-bromoacryloyl)amino]benzothiophene-2-carbonyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C19H22BrN3O4S MolecularWeight: 468.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C(=C)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C(=C)Br

InChI

InChI=1S/C19H22BrN3O4S/c1-11(20)16(24)23-13-5-6-14-12(9-13)10-15(28-14)17(25)21-7-8-22-18(26)27-19(2,3)4/h5-6,9-10H,1,7-8H2,2-4H3,(H,21,25)(H,22,26)(H,23,24)