[(E,2R)-4-(1-benzothiophen-6-yl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl] hexanoate

Systemtic Name: [(E,2R)-4-(1-benzothiophen-6-yl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl] hexanoate Openeye Name: [(E,2R)-4-(benzothiophen-6-yl)-1-(tert-butoxycarbonylamino)-2-methyl-but-3-enyl] hexanoate CAS Name: hexanoic acid [(E,2R)-4-(1-benzothiophen-6-yl)-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]but-3-enyl] ester IUPAC Name: [(E,2R)-4-(1-benzothiophen-6-yl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl] hexanoate Traditional Name: hexanoic acid [(E,2R)-4-(benzothiophen-6-yl)-1-(tert-butoxycarbonylamino)-2-methyl-but-3-enyl] ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C(C)C=CC1=CC2=C(C=C1)C=CS2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(=O)OC([C@H](C)/C=C/C1=CC2=C(C=C1)C=CS2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H33NO4S/c1-6-7-8-9-21(26)28-22(25-23(27)29-24(3,4)5)17(2)10-11-18-12-13-19-14-15-30-20(19)16-18/h10-17,22H,6-9H2,1-5H3,(H,25,27)/b11-10+/t17-,22?/m1/s1