methyl 2-(5-methoxy-3-methyl-6-oxidanylidene-4-thia-2-aza-6-azoniabicyclo[3.2.0]hept-2-en-7-yl)-3-methyl-but-2-enoate

Systemtic Name: methyl 2-(5-methoxy-3-methyl-6-oxidanylidene-4-thia-2-aza-6-azoniabicyclo[3.2.0]hept-2-en-7-yl)-3-methyl-but-2-enoate Openeye Name: methyl 2-(5-methoxy-3-methyl-6-oxo-4-thia-2-aza-6-azoniabicyclo[3.2.0]hept-2-en-7-yl)-3-methyl-but-2-enoate CAS Name: 2-(5-methoxy-3-methyl-6-oxo-4-thia-2-aza-6-azoniabicyclo[3.2.0]hept-2-en-7-yl)-3-methyl-2-butenoic acid methyl ester IUPAC Name: methyl 2-(5-methoxy-3-methyl-6-oxo-4-thia-2-aza-6-azoniabicyclo[3.2.0]hept-2-en-7-yl)-3-methylbut-2-enoate Traditional Name: 2-(6-keto-5-methoxy-3-methyl-4-thia-2-aza-6-azoniabicyclo[3.2.0]hept-2-en-7-yl)-3-methyl-but-2-enoic acid methyl ester Formula: C12H17N2O4S+ MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2C([N+](=O)C2(S1)OC)C(=C(C)C)C(=O)OC

Isomeric SMILES

CC1=NC2C([N+](=O)C2(S1)OC)C(=C(C)C)C(=O)OC

InChI

InChI=1S/C12H17N2O4S/c1-6(2)8(11(15)17-4)9-10-12(18-5,14(9)16)19-7(3)13-10/h9-10H,1-5H3/q+1