4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: 6-(2-tert-butoxy-2-oxo-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-thiomorpholinecarboxylate IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 6-(2-tert-butoxy-2-keto-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Formula: C23H30NO7S2- MolecularWeight: 496.6168

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)[O-])(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)[O-])(C)C)CC(=O)OC(C)(C)C

InChI

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