(E)-2-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanylhexadec-3-enoic acid

Systemtic Name: (E)-2-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanylhexadec-3-enoic acid Openeye Name: (E)-2-[3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanylhexadec-3-enoic acid CAS Name: (E)-2-[[3-[carboxy(methyl)amino]-3-oxopropyl]thio]-3-hexadecenoic acid IUPAC Name: (E)-2-[3-[carboxy(methyl)amino]-3-oxopropyl]sulfanylhexadec-3-enoic acid Traditional Name: (E)-2-[[3-[carboxy(methyl)amino]-3-keto-propyl]thio]hexadec-3-enoic acid Formula: C21H37NO5S MolecularWeight: 415.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(=O)O)SCCC(=O)N(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(=O)O)SCCC(=O)N(C)C(=O)O

InChI

InChI=1S/C21H37NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20(24)25)28-17-16-19(23)22(2)21(26)27/h14-15,18H,3-13,16-17H2,1-2H3,(H,24,25)(H,26,27)/b15-14+