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

Systemtic Name: ethyl 1-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[(5E)-5-[(4-dimethylaminophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(5E)-5-[4-(dimethylamino)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-4-27-20(26)16-9-11-23(12-10-16)14-24-19(25)18(29-21(24)28)13-15-5-7-17(8-6-15)22(2)3/h5-8,13,16H,4,9-12,14H2,1-3H3/p+1/b18-13+