2-morpholin-4-ium-4-ylethyl 4-[(Z)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 4-[(Z)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 4-[(Z)-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoate CAS Name: 4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate Traditional Name: 4-[(Z)-(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]benzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C18H21N2O4S2+ MolecularWeight: 393.50034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)OCC[NH+]3CCOCC3)SC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OCC[NH+]3CCOCC3)/SC1=S

InChI

InChI=1S/C18H20N2O4S2/c1-19-16(21)15(26-18(19)25)12-13-2-4-14(5-3-13)17(22)24-11-8-20-6-9-23-10-7-20/h2-5,12H,6-11H2,1H3/p+1/b15-12-