4-[5-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-tetrahydrothiophen-2-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 4-[5-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-2-thiolanylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxothiolan-2-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-keto-tetrahydrothiophen-2-ylidene]methyl]-2-furyl]benzoic acid Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)SC2=N

InChI

InChI=1S/C20H15N3O4S2/c1-2-15-22-23-19(29-15)16-17(24)14(28-18(16)21)9-12-7-8-13(27-12)10-3-5-11(6-4-10)20(25)26/h3-9,16,21H,2H2,1H3,(H,25,26)