2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furoic acid Formula: C14H13N3O3S3 MolecularWeight: 367.46632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=NN=C(S2)SCC3=C(C=CO3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CCNC2=NN=C(S2)SCC3=C(C=CO3)C(=O)O

InChI

InChI=1S/C14H13N3O3S3/c18-12(19)10-4-6-20-11(10)8-22-14-17-16-13(23-14)15-5-3-9-2-1-7-21-9/h1-2,4,6-7H,3,5,8H2,(H,15,16)(H,18,19)