3-[5-[(Z)-[5-azanylidene-7-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(Z)-[5-azanylidene-7-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(Z)-[5-imino-7-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(Z)-[5-imino-7-keto-2-(2-keto-2-pyrrolidino-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-furyl]benzoic acid Formula: C23H19N5O5S MolecularWeight: 477.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)N=C3S2

Isomeric SMILES

C1CCN(C1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/C(=O)N=C3S2

InChI

InChI=1S/C23H19N5O5S/c24-20-16(11-15-6-7-17(33-15)13-4-3-5-14(10-13)22(31)32)21(30)25-23-28(20)26-18(34-23)12-19(29)27-8-1-2-9-27/h3-7,10-11,24H,1-2,8-9,12H2,(H,31,32)/b16-11-,24-20?