2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-benzothiophene-2-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-benzothiophene-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H13NO5S2 MolecularWeight: 387.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H13NO5S2/c20-17-13-6-2-4-8-16(13)26(22,23)19(17)9-10-24-18(21)15-11-12-5-1-3-7-14(12)25-15/h1-8,11H,9-10H2