methyl 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: methyl 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: methyl 4-[(5Z)-5-[(4-tert-butylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[(5Z)-5-(4-tert-butylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid methyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21NO3S2/c1-22(2,3)16-9-5-14(6-10-16)13-18-19(24)23(21(27)28-18)17-11-7-15(8-12-17)20(25)26-4/h5-13H,1-4H3/b18-13-