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

Systemtic Name: methyl 4-[(5Z)-5-[(4-hexoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: methyl 4-[(5Z)-5-[(4-hexoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(4-hexoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[(5Z)-5-[(4-hexoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(4-hexoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid methyl ester Formula: C21H27NO4S2 MolecularWeight: 421.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)OC

InChI

InChI=1S/C21H27NO4S2/c1-3-4-5-6-14-26-17-11-9-16(10-12-17)15-18-20(24)22(21(27)28-18)13-7-8-19(23)25-2/h9-12,15H,3-8,13-14H2,1-2H3/b18-15-