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

Systemtic Name: [(E,2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-yl-but-3-enyl] hexanoate Openeye Name: [(E,2R)-1-(tert-butoxycarbonylamino)-2-methyl-4-(2-thienyl)but-3-enyl] hexanoate CAS Name: hexanoic acid [(E,2R)-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiophen-2-ylbut-3-enyl] ester IUPAC Name: [(E,2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbut-3-enyl] hexanoate Traditional Name: hexanoic acid [(E,2R)-1-(tert-butoxycarbonylamino)-2-methyl-4-(2-thienyl)but-3-enyl] ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C(C)C=CC1=CC=CS1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(=O)OC([C@H](C)/C=C/C1=CC=CS1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31NO4S/c1-6-7-8-11-17(22)24-18(21-19(23)25-20(3,4)5)15(2)12-13-16-10-9-14-26-16/h9-10,12-15,18H,6-8,11H2,1-5H3,(H,21,23)/b13-12+/t15-,18?/m1/s1