tert-butyl 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-[4-(7-acetoxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(7-acetoxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C26H37NO7S2 MolecularWeight: 539.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CC(=O)OCCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C26H37NO7S2/c1-20(28)32-17-10-8-7-9-11-18-33-21-12-14-22(15-13-21)36(30,31)27-16-19-35-26(5,6)23(27)24(29)34-25(2,3)4/h12-15,23H,7-8,10,16-19H2,1-6H3