4-[3-[(5E)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoate

Systemtic Name: 4-[3-[(5E)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoate Openeye Name: 4-[3-[(5E)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]butanoate CAS Name: 4-[[3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoate Traditional Name: 4-[3-[(5E)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]propanoylamino]butyrate Formula: C20H21N2O4S2- MolecularWeight: 417.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C20H22N2O4S2/c1-14(12-15-6-3-2-4-7-15)13-16-19(26)22(20(27)28-16)11-9-17(23)21-10-5-8-18(24)25/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,21,23)(H,24,25)/p-1/b14-12+,16-13+