3-[(5Z)-4-oxidanylidene-5-[(5-piperidin-1-ium-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5Z)-4-oxidanylidene-5-[(5-piperidin-1-ium-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5Z)-4-oxo-5-[(5-piperidin-1-ium-1-yl-2-furyl)methylene]-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5Z)-4-oxo-5-[[5-(1-piperidin-1-iumyl)-2-furanyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5Z)-4-oxo-5-[(5-piperidin-1-ium-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5Z)-4-keto-5-[(5-piperidin-1-ium-1-yl-2-furyl)methylene]-2-thioxo-thiazolidin-3-yl]propionate Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c19-14(20)6-9-18-15(21)12(24-16(18)23)10-11-4-5-13(22-11)17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2,(H,19,20)/b12-10-