ethyl 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzofuran-2-carboxylate CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]coumarilic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-3-25-21(24)20-15(14-8-4-6-10-17(14)26-20)12-23(2)13-19-22-16-9-5-7-11-18(16)27-19/h4-11H,3,12-13H2,1-2H3