11-[[5-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-thiophen-2-yl]amino]-11-oxidanylidene-undecanoic acid

Systemtic Name: 11-[[5-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-thiophen-2-yl]amino]-11-oxidanylidene-undecanoic acid Openeye Name: 11-[[3-(4-hydroxy-4-oxo-butyl)sulfanyl-5-methyl-2-thienyl]amino]-11-oxo-undecanoic acid CAS Name: 11-[[3-[(4-hydroxy-4-oxobutyl)thio]-5-methyl-2-thiophenyl]amino]-11-oxoundecanoic acid IUPAC Name: 11-[[3-(4-hydroxy-4-oxobutyl)sulfanyl-5-methylthiophen-2-yl]amino]-11-oxoundecanoic acid Traditional Name: 11-[[3-[(4-hydroxy-4-keto-butyl)thio]-5-methyl-2-thienyl]amino]-11-keto-undecanoic acid Formula: C20H31NO5S2 MolecularWeight: 429.59384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S2/c1-15-14-16(27-13-9-12-19(25)26)20(28-15)21-17(22)10-7-5-3-2-4-6-8-11-18(23)24/h14H,2-13H2,1H3,(H,21,22)(H,23,24)(H,25,26)