2-[[4-methylsulfanyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)thiophen-2-yl]carbamoyl]decanoic acid

Systemtic Name: 2-[[4-methylsulfanyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)thiophen-2-yl]carbamoyl]decanoic acid Openeye Name: 2-[[3-(4-hydroxy-4-oxo-butoxy)-4-methylsulfanyl-2-thienyl]carbamoyl]decanoic acid CAS Name: 2-[[[3-(4-hydroxy-4-oxobutoxy)-4-(methylthio)-2-thiophenyl]amino]-oxomethyl]decanoic acid IUPAC Name: 2-[[3-(4-hydroxy-4-oxobutoxy)-4-methylsulfanylthiophen-2-yl]carbamoyl]decanoic acid Traditional Name: 2-[[3-(4-hydroxy-4-keto-butoxy)-4-(methylthio)-2-thienyl]carbamoyl]capric acid Formula: C20H31NO6S2 MolecularWeight: 445.59324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C(=CS1)SC)OCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C(=CS1)SC)OCCCC(=O)O)C(=O)O

InChI

InChI=1S/C20H31NO6S2/c1-3-4-5-6-7-8-10-14(20(25)26)18(24)21-19-17(15(28-2)13-29-19)27-12-9-11-16(22)23/h13-14H,3-12H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)