2-(4-but-2-ynoxyphenyl)sulfanyl-6-(4-thiophen-2-ylbutanoylamino)hexanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-(4-thiophen-2-ylbutanoylamino)hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[4-(2-thienyl)butanoylamino]hexanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[(1-oxo-4-thiophen-2-ylbutyl)amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-(4-thiophen-2-ylbutanoylamino)hexanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[4-(2-thienyl)butanoylamino]hexanoic acid Formula: C24H29NO4S2 MolecularWeight: 459.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CCCC2=CC=CS2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CCCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C24H29NO4S2/c1-2-3-17-29-19-12-14-21(15-13-19)31-22(24(27)28)10-4-5-16-25-23(26)11-6-8-20-9-7-18-30-20/h7,9,12-15,18,22H,4-6,8,10-11,16-17H2,1H3,(H,25,26)(H,27,28)