tert-butyl 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonyl-propan-2-yloxy-amino]ethanoate

Systemtic Name: tert-butyl 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonyl-propan-2-yloxy-amino]ethanoate Openeye Name: tert-butyl 2-[[5-[2-(4-butylphenyl)ethynyl]-2-thienyl]sulfonyl-isopropoxy-amino]acetate CAS Name: 2-[[5-[2-(4-butylphenyl)ethynyl]-2-thiophenyl]sulfonyl-propan-2-yloxyamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonyl-propan-2-yloxyamino]acetate Traditional Name: 2-[[5-[2-(4-butylphenyl)ethynyl]-2-thienyl]sulfonyl-isopropoxy-amino]acetic acid tert-butyl ester Formula: C25H33NO5S2 MolecularWeight: 491.66322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N(CC(=O)OC(C)(C)C)OC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N(CC(=O)OC(C)(C)C)OC(C)C

InChI

InChI=1S/C25H33NO5S2/c1-7-8-9-20-10-12-21(13-11-20)14-15-22-16-17-24(32-22)33(28,29)26(31-19(2)3)18-23(27)30-25(4,5)6/h10-13,16-17,19H,7-9,18H2,1-6H3