4-[2-(phenylcarbonylimino)-5-thiophen-2-ylcarbonyl-1,3,4-thiadiazol-3-yl]benzoic acid

Systemtic Name: 4-[2-(phenylcarbonylimino)-5-thiophen-2-ylcarbonyl-1,3,4-thiadiazol-3-yl]benzoic acid Openeye Name: 4-[2-benzoylimino-5-(thiophene-2-carbonyl)-1,3,4-thiadiazol-3-yl]benzoic acid CAS Name: 4-[2-benzoylimino-5-[oxo(thiophen-2-yl)methyl]-1,3,4-thiadiazol-3-yl]benzoic acid IUPAC Name: 4-[2-benzoylimino-5-(thiophene-2-carbonyl)-1,3,4-thiadiazol-3-yl]benzoic acid Traditional Name: 4-[2-benzoylimino-5-(2-thenoyl)-1,3,4-thiadiazol-3-yl]benzoic acid Formula: C21H13N3O4S2 MolecularWeight: 435.47562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N=C2N(N=C(S2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N=C2N(N=C(S2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13N3O4S2/c25-17(16-7-4-12-29-16)19-23-24(15-10-8-14(9-11-15)20(27)28)21(30-19)22-18(26)13-5-2-1-3-6-13/h1-12H,(H,27,28)