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

Systemtic Name: 4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]benzoic acid Openeye Name: 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-tetrahydrothiophen-2-ylidene]methyl]benzoic acid CAS Name: 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-2-thiolanylidene]methyl]benzoic acid IUPAC Name: 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxothiolan-2-ylidene]methyl]benzoic acid Traditional Name: 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-keto-tetrahydrothiophen-2-ylidene]methyl]benzoic acid Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=N

InChI

InChI=1S/C16H13N3O3S2/c1-2-11-18-19-15(24-11)12-13(20)10(23-14(12)17)7-8-3-5-9(6-4-8)16(21)22/h3-7,12,17H,2H2,1H3,(H,21,22)