2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-methoxycarbonyl-6,6-dimethyl-thiomorpholin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-methoxycarbonyl-6,6-dimethyl-thiomorpholin-2-yl]ethanoic acid Openeye Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-methoxycarbonyl-6,6-dimethyl-thiomorpholin-2-yl]acetic acid CAS Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-methoxycarbonyl-6,6-dimethyl-2-thiomorpholinyl]acetic acid IUPAC Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-methoxycarbonyl-6,6-dimethylthiomorpholin-2-yl]acetic acid Traditional Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-carbomethoxy-6,6-dimethyl-thiomorpholin-2-yl]acetic acid Formula: C20H25NO7S2 MolecularWeight: 455.545

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7S2/c1-5-6-11-28-14-7-9-16(10-8-14)30(25,26)21-13-15(12-17(22)23)29-20(2,3)18(21)19(24)27-4/h7-10,15,18H,11-13H2,1-4H3,(H,22,23)