methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-tridec-2-enyl]sulfanyl-propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-tridec-2-enyl]sulfanyl-propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[(E)-tridec-2-enyl]sulfanyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(E)-tridec-2-enyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-tridec-2-enyl]sulfanylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[(E)-tridec-2-enyl]thio]propionic acid methyl ester Formula: C22H41NO4S MolecularWeight: 415.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCSCC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCC/C=C/CSCC(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H41NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-28-18-19(20(24)26-5)23-21(25)27-22(2,3)4/h15-16,19H,6-14,17-18H2,1-5H3,(H,23,25)/b16-15+