ethyl (2R,3R)-6-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-hept-6-en-4-ynoate

Systemtic Name: ethyl (2R,3R)-6-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-hept-6-en-4-ynoate Openeye Name: ethyl (2R,3R)-3-hydroxy-6-methyl-2-(p-tolylsulfonylamino)hept-6-en-4-ynoate CAS Name: (2R,3R)-3-hydroxy-6-methyl-2-[(4-methylphenyl)sulfonylamino]hept-6-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-hydroxy-6-methyl-2-[(4-methylphenyl)sulfonylamino]hept-6-en-4-ynoate Traditional Name: (2R,3R)-3-hydroxy-6-methyl-2-(tosylamino)hept-6-en-4-ynoic acid ethyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#CC(=C)C)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C#CC(=C)C)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H21NO5S/c1-5-23-17(20)16(15(19)11-6-12(2)3)18-24(21,22)14-9-7-13(4)8-10-14/h7-10,15-16,18-19H,2,5H2,1,3-4H3/t15-,16-/m1/s1