4-[3-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoic acid

Systemtic Name: 4-[3-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoic acid Openeye Name: 4-[3-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]butanoic acid CAS Name: 4-[[1-oxo-3-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]propyl]amino]butanoic acid IUPAC Name: 4-[3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoic acid Traditional Name: 4-[3-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]butyric acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c20-14(18-9-4-7-15(21)22)8-10-19-16(23)13(25-17(19)24)11-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,18,20)(H,21,22)/b13-11+