ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[(1,3-benzothiazol-2-ylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO5S2/c1-3-25-20(24)19-14-10-13(26-12(2)23)8-9-16(14)27-17(19)11-28-21-22-15-6-4-5-7-18(15)29-21/h4-10H,3,11H2,1-2H3