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

Systemtic Name: 4-[2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C15H11N3O3S3 MolecularWeight: 377.46114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11N3O3S3/c19-12(16-10-5-3-9(4-6-10)14(20)21)8-23-15-18-17-13(24-15)11-2-1-7-22-11/h1-7H,8H2,(H,16,19)(H,20,21)