methyl 2-(4-ethoxycarbonylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-1,3-thiazine-6-carboxylate

Systemtic Name: methyl 2-(4-ethoxycarbonylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-1,3-thiazine-6-carboxylate Openeye Name: methyl 2-(4-ethoxycarbonylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-1,3-thiazine-6-carboxylate CAS Name: 2-(4-ethoxycarbonylphenyl)imino-3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-1,3-thiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-ethoxycarbonylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-1,3-thiazine-6-carboxylate Traditional Name: 2-(4-carbethoxyphenyl)imino-4-keto-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazine-6-carboxylic acid methyl ester Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)CCC[NH+]3CCOCC3

InChI

InChI=1S/C22H27N3O6S/c1-3-31-20(27)16-5-7-17(8-6-16)23-22-25(10-4-9-24-11-13-30-14-12-24)19(26)15-18(32-22)21(28)29-2/h5-8,15H,3-4,9-14H2,1-2H3/p+1