2-[(6S)-2-[(3,4-dimethoxyphenyl)methylideneazaniumyl]-5-oxidanylidene-4H-1,3,4-thiadiazin-6-yl]ethanoate

Systemtic Name: 2-[(6S)-2-[(3,4-dimethoxyphenyl)methylideneazaniumyl]-5-oxidanylidene-4H-1,3,4-thiadiazin-6-yl]ethanoate Openeye Name: 2-[(6S)-2-[(3,4-dimethoxyphenyl)methyleneammonio]-5-oxo-4H-1,3,4-thiadiazin-6-yl]acetate CAS Name: 2-[(6S)-2-[(3,4-dimethoxyphenyl)methylideneammonio]-5-oxo-4H-1,3,4-thiadiazin-6-yl]acetate IUPAC Name: 2-[(6S)-2-[(3,4-dimethoxyphenyl)methylideneazaniumyl]-5-oxo-4H-1,3,4-thiadiazin-6-yl]acetate Traditional Name: 2-[(6S)-5-keto-2-veratrylideneammonio-4H-1,3,4-thiadiazin-6-yl]acetate Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=[NH+]C2=NNC(=O)C(S2)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=[NH+]C2=NNC(=O)[C@@H](S2)CC(=O)[O-])OC

InChI

InChI=1S/C14H15N3O5S/c1-21-9-4-3-8(5-10(9)22-2)7-15-14-17-16-13(20)11(23-14)6-12(18)19/h3-5,7,11H,6H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1