12-oxidanylidene-12-[[3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylthiophen-2-yl]methylamino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylthiophen-2-yl]methylamino]dodecanoic acid Openeye Name: 12-[[3-(4-hydroxy-4-oxo-butyl)sulfanyl-2-thienyl]methylamino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-[(4-hydroxy-4-oxobutyl)thio]-2-thiophenyl]methylamino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(4-hydroxy-4-oxobutyl)sulfanylthiophen-2-yl]methylamino]-12-oxododecanoic acid Traditional Name: 12-[[3-[(4-hydroxy-4-keto-butyl)thio]-2-thienyl]methylamino]-12-keto-lauric acid Formula: C21H33NO5S2 MolecularWeight: 443.62042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1SCCCC(=O)O)CNC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1SCCCC(=O)O)CNC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H33NO5S2/c23-19(10-7-5-3-1-2-4-6-8-11-20(24)25)22-16-18-17(13-15-29-18)28-14-9-12-21(26)27/h13,15H,1-12,14,16H2,(H,22,23)(H,24,25)(H,26,27)