tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylic acid tert-butyl 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)N2CCSCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25NO5S2/c1-5-6-12-24-15-7-9-16(10-8-15)27(22,23)20-11-13-26-14-17(20)18(21)25-19(2,3)4/h7-10,17H,11-14H2,1-4H3