methyl (E,5R,6S)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-7-oxidanylidene-hept-3-enoate

Systemtic Name: methyl (E,5R,6S)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-7-oxidanylidene-hept-3-enoate Openeye Name: methyl (E,5R,6S)-5-methyl-7-oxo-6-(p-tolylsulfonylamino)hept-3-enoate CAS Name: (E,5R,6S)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-7-oxo-3-heptenoic acid methyl ester IUPAC Name: methyl (E,5R,6S)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-7-oxohept-3-enoate Traditional Name: (E,5R,6S)-7-keto-5-methyl-6-(tosylamino)hept-3-enoic acid methyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C=O)C(C)C=CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=O)[C@H](C)/C=C/CC(=O)OC

InChI

InChI=1S/C16H21NO5S/c1-12-7-9-14(10-8-12)23(20,21)17-15(11-18)13(2)5-4-6-16(19)22-3/h4-5,7-11,13,15,17H,6H2,1-3H3/b5-4+/t13-,15-/m1/s1