2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic 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 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H12ClNO6S MolecularWeight: 405.80898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C18H12ClNO6S/c19-12-5-6-14-11(9-12)10-15(26-14)18(22)25-8-7-20-17(21)13-3-1-2-4-16(13)27(20,23)24/h1-6,9-10H,7-8H2