2-[1-ethyl-3,3-dimethyl-5-(6-methyl-2-oxidanylidene-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-oxidanylidene-indol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-3,3-dimethyl-5-(6-methyl-2-oxidanylidene-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-oxidanylidene-indol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-3,3-dimethyl-5-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-oxo-indolin-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-3,3-dimethyl-5-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-oxo-1-indol-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-3,3-dimethyl-5-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-oxoindol-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-2-keto-5-(2-keto-6-methyl-3,6-dihydro-1,3,4-thiadiazin-5-yl)-3,3-dimethyl-indolin-1-ium-1-yl]acetate Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C(C=C2)C3=NNC(=O)SC3C)C(C1=O)(C)C)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C2=C(C=C(C=C2)C3=NNC(=O)SC3C)C(C1=O)(C)C)CC(=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-5-21(9-14(22)23)13-7-6-11(8-12(13)18(3,4)16(21)24)15-10(2)26-17(25)20-19-15/h6-8,10H,5,9H2,1-4H3,(H-,20,22,23,25)