2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(2-ethoxy-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(2-ethoxy-2-keto-ethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C14H11N3O4S3 MolecularWeight: 381.44984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H11N3O4S3/c1-2-21-11(18)6-10-16-17-14(23-10)24-13-15-8-4-3-7(12(19)20)5-9(8)22-13/h3-5H,2,6H2,1H3,(H,19,20)