2-(4-but-2-ynoxyphenyl)sulfanyl-6-[2-(3,4-dichlorophenyl)ethanoylamino]hexanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[2-(3,4-dichlorophenyl)ethanoylamino]hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[[2-(3,4-dichlorophenyl)acetyl]amino]hexanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[[2-(3,4-dichlorophenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[[2-(3,4-dichlorophenyl)acetyl]amino]hexanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[[2-(3,4-dichlorophenyl)acetyl]amino]hexanoic acid Formula: C24H25Cl2NO4S MolecularWeight: 494.4306

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C24H25Cl2NO4S/c1-2-3-14-31-18-8-10-19(11-9-18)32-22(24(29)30)6-4-5-13-27-23(28)16-17-7-12-20(25)21(26)15-17/h7-12,15,22H,4-6,13-14,16H2,1H3,(H,27,28)(H,29,30)