ethyl 1-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[(5E)-5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(5E)-4-keto-5-p-anisylidene-2-thioxo-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H25N2O4S2+ MolecularWeight: 421.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C(=CC3=CC=C(C=C3)OC)SC2=S

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)/C(=C\C3=CC=C(C=C3)OC)/SC2=S

InChI

InChI=1S/C20H24N2O4S2/c1-3-26-19(24)15-8-10-21(11-9-15)13-22-18(23)17(28-20(22)27)12-14-4-6-16(25-2)7-5-14/h4-7,12,15H,3,8-11,13H2,1-2H3/p+1/b17-12+