12-[[4-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-thiophen-2-yl]amino]-12-oxidanylidene-dodecanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CSC(=C1SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H33NO5S2/c1-16-15-29-21(20(16)28-14-10-13-19(26)27)22-17(23)11-8-6-4-2-3-5-7-9-12-18(24)25/h15H,2-14H2,1H3,(H,22,23)(H,24,25)(H,26,27)