2-(4-but-2-ynoxyphenyl)sulfanyl-6-(2,2-diphenylethanoylamino)hexanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-(2,2-diphenylethanoylamino)hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[(2,2-diphenylacetyl)amino]hexanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[(1-oxo-2,2-diphenylethyl)amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[(2,2-diphenylacetyl)amino]hexanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[(2,2-diphenylacetyl)amino]hexanoic acid Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C30H31NO4S/c1-2-3-22-35-25-17-19-26(20-18-25)36-27(30(33)34)16-10-11-21-31-29(32)28(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,17-20,27-28H,10-11,16,21-22H2,1H3,(H,31,32)(H,33,34)