pentyl 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: pentyl 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: pentyl 4-[(5Z)-5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid pentyl ester IUPAC Name: pentyl 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid amyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCCN1C(=O)C(=CC2=CC=C(C=C2)CC)SC1=S

Isomeric SMILES

CCCCCOC(=O)CCCN1C(=O)/C(=C/C2=CC=C(C=C2)CC)/SC1=S

InChI

InChI=1S/C21H27NO3S2/c1-3-5-6-14-25-19(23)8-7-13-22-20(24)18(27-21(22)26)15-17-11-9-16(4-2)10-12-17/h9-12,15H,3-8,13-14H2,1-2H3/b18-15-