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

Systemtic Name: 2-[[5-(3-ethoxy-3-oxidanylidene-propyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(3-ethoxy-3-oxo-propyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(3-ethoxy-3-oxopropyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(3-ethoxy-3-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(3-ethoxy-3-keto-propyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C15H13N3O4S3 MolecularWeight: 395.47642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C15H13N3O4S3/c1-2-22-12(19)6-5-11-17-18-15(24-11)25-14-16-9-4-3-8(13(20)21)7-10(9)23-14/h3-4,7H,2,5-6H2,1H3,(H,20,21)