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

Systemtic Name: 2-[(6S)-2-[(4-methoxyphenyl)methylideneazaniumyl]-5-oxidanylidene-4H-1,3,4-thiadiazin-6-yl]ethanoate Openeye Name: 2-[(6S)-2-[(4-methoxyphenyl)methyleneammonio]-5-oxo-4H-1,3,4-thiadiazin-6-yl]acetate CAS Name: 2-[(6S)-2-[(4-methoxyphenyl)methylideneammonio]-5-oxo-4H-1,3,4-thiadiazin-6-yl]acetate IUPAC Name: 2-[(6S)-2-[(4-methoxyphenyl)methylideneazaniumyl]-5-oxo-4H-1,3,4-thiadiazin-6-yl]acetate Traditional Name: 2-[(6S)-5-keto-2-p-anisylideneammonio-4H-1,3,4-thiadiazin-6-yl]acetate Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-20-9-4-2-8(3-5-9)7-14-13-16-15-12(19)10(21-13)6-11(17)18/h2-5,7,10H,6H2,1H3,(H,15,19)(H,17,18)/t10-/m0/s1