(E)-3-[(S)-acetamido-(4-acetyloxy-3-methoxy-phenyl)methyl]-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: (E)-3-[(S)-acetamido-(4-acetyloxy-3-methoxy-phenyl)methyl]-4-oxidanylidene-pent-2-en-2-olate Openeye Name: (E)-3-[(S)-acetamido-(4-acetoxy-3-methoxy-phenyl)methyl]-4-oxo-pent-2-en-2-olate CAS Name: (E)-3-[(S)-acetamido-(4-acetyloxy-3-methoxyphenyl)methyl]-4-oxo-2-penten-2-olate IUPAC Name: (E)-3-[(S)-acetamido-(4-acetyloxy-3-methoxyphenyl)methyl]-4-oxopent-2-en-2-olate Traditional Name: (E)-3-[(S)-acetamido-(4-acetoxy-3-methoxy-phenyl)methyl]-4-keto-pent-2-en-2-olate Formula: C17H20NO6- MolecularWeight: 334.3438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C1=CC(=C(C=C1)OC(=O)C)OC)NC(=O)C)C(=O)C)[O-]

Isomeric SMILES

C/C(=C(/[C@H](C1=CC(=C(C=C1)OC(=O)C)OC)NC(=O)C)\C(=O)C)/[O-]

InChI

InChI=1S/C17H21NO6/c1-9(19)16(10(2)20)17(18-11(3)21)13-6-7-14(24-12(4)22)15(8-13)23-5/h6-8,17,19H,1-5H3,(H,18,21)/p-1/b16-9-/t17-/m0/s1