methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-thiophen-3-yl-hex-5-enoate

Systemtic Name: methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-thiophen-3-yl-hex-5-enoate Openeye Name: methyl (E,2S)-2-(tert-butoxycarbonylamino)-6-(3-thienyl)hex-5-enoate CAS Name: (E,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(3-thiophenyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-thiophen-3-ylhex-5-enoate Traditional Name: (E,2S)-2-(tert-butoxycarbonylamino)-6-(3-thienyl)hex-5-enoic acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC=CC1=CSC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC/C=C/C1=CSC=C1)C(=O)OC

InChI

InChI=1S/C16H23NO4S/c1-16(2,3)21-15(19)17-13(14(18)20-4)8-6-5-7-12-9-10-22-11-12/h5,7,9-11,13H,6,8H2,1-4H3,(H,17,19)/b7-5+/t13-/m0/s1