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

Systemtic Name: tert-butyl 4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-[4-(4-acetoxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(4-acetoxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C23H31NO7S2 MolecularWeight: 497.62474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO7S2/c1-17(25)29-14-7-8-15-30-18-9-11-19(12-10-18)33(27,28)24-13-16-32-23(5,6)20(24)21(26)31-22(2,3)4/h9-12,20H,13-16H2,1-6H3