tert-butyl 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(phenylmethoxycarbamoyl)thiomorpholin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(phenylmethoxycarbamoyl)thiomorpholin-2-yl]ethanoate Openeye Name: tert-butyl 2-[5-(benzyloxycarbamoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-thiomorpholin-2-yl]acetate CAS Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-[oxo-(phenylmethoxyamino)methyl]-2-thiomorpholinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(phenylmethoxycarbamoyl)thiomorpholin-2-yl]acetate Traditional Name: 2-[5-(benzoxycarbamoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-thiomorpholin-2-yl]acetic acid tert-butyl ester Formula: C30H38N2O7S2 MolecularWeight: 602.76192

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NOCC3=CC=CC=C3)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NOCC3=CC=CC=C3)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N2O7S2/c1-7-8-18-37-23-14-16-25(17-15-23)41(35,36)32-20-24(19-26(33)39-29(2,3)4)40-30(5,6)27(32)28(34)31-38-21-22-12-10-9-11-13-22/h9-17,24,27H,18-21H2,1-6H3,(H,31,34)