methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-thiomorpholine-3-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethylthiomorpholine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-6-7-12-25-15-8-10-16(11-9-15)27(22,23)20-13-14(2)26-19(3,4)17(20)18(21)24-5/h8-11,14,17H,12-13H2,1-5H3