methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-octylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-octylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-(tert-butoxycarbonylamino)-3-octylsulfanyl-prop-2-enoate CAS Name: (E)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(octylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-octylsulfanylprop-2-enoate Traditional Name: (E)-2-(tert-butoxycarbonylamino)-3-(octylthio)acrylic acid methyl ester Formula: C17H31NO4S MolecularWeight: 345.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC=C(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCS/C=C(\C(=O)OC)/NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H31NO4S/c1-6-7-8-9-10-11-12-23-13-14(15(19)21-5)18-16(20)22-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,20)/b14-13+