13-[[5-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-thiophen-2-yl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[5-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-thiophen-2-yl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[[3-(4-hydroxy-4-oxo-butyl)sulfanyl-5-methyl-2-thienyl]amino]-13-oxo-tridecanoic acid CAS Name: 13-[[3-[(4-hydroxy-4-oxobutyl)thio]-5-methyl-2-thiophenyl]amino]-13-oxotridecanoic acid IUPAC Name: 13-[[3-(4-hydroxy-4-oxobutyl)sulfanyl-5-methylthiophen-2-yl]amino]-13-oxotridecanoic acid Traditional Name: 13-[[3-[(4-hydroxy-4-keto-butyl)thio]-5-methyl-2-thienyl]amino]-13-keto-tridecanoic acid Formula: C22H35NO5S2 MolecularWeight: 457.647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C22H35NO5S2/c1-17-16-18(29-15-11-14-21(27)28)22(30-17)23-19(24)12-9-7-5-3-2-4-6-8-10-13-20(25)26/h16H,2-15H2,1H3,(H,23,24)(H,25,26)(H,27,28)