(5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-quinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate

Systemtic Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-quinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-2-quinolylidene)ethylidene]-3-ethyl-3-methyl-2-thioxo-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-2-quinolinylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-4-thiazolidin-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-2-quinolylidene)ethylidene]-3-ethyl-3-methyl-2-thioxo-thiazolidin-3-ium-4-one tosylate Formula: C28H32N2O5S3 MolecularWeight: 572.75908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C2C(=O)[N+](C(=S)S2)(C)CC)C=CC3=C1C=CC(=C3)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C=C\2/C(=O)[N+](C(=S)S2)(C)CC)/C=CC3=C1C=CC(=C3)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H25N2O2S2.C7H8O3S/c1-5-22-16(9-8-15-14-17(25-7-3)11-12-18(15)22)10-13-19-20(24)23(4,6-2)21(26)27-19;1-6-2-4-7(5-3-6)11(8,9)10/h8-14H,5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b16-10+,19-13-;