4-oxidanyl-2-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid

Systemtic Name: 4-oxidanyl-2-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid Openeye Name: 4-hydroxy-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid CAS Name: 4-hydroxy-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]butanoic acid IUPAC Name: 4-hydroxy-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid Traditional Name: 4-hydroxy-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]butyric acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SC(CCO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SC(CCO)C(=O)O

InChI

InChI=1S/C18H17N3O4S2/c22-11-10-15(16(23)24)26-18-21-20-17(27-18)19-12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,19,20)(H,23,24)