1,3-benzothiazol-2-yl-[7-(dimethylaminomethyl)-5-ethyl-6-oxidanyl-1-benzofuran-3-yl]methanone

Systemtic Name: 1,3-benzothiazol-2-yl-[7-(dimethylaminomethyl)-5-ethyl-6-oxidanyl-1-benzofuran-3-yl]methanone Openeye Name: 1,3-benzothiazol-2-yl-[7-(dimethylaminomethyl)-5-ethyl-6-hydroxy-benzofuran-3-yl]methanone CAS Name: 1,3-benzothiazol-2-yl-[7-(dimethylaminomethyl)-5-ethyl-6-hydroxy-3-benzofuranyl]methanone IUPAC Name: 1,3-benzothiazol-2-yl-[7-(dimethylaminomethyl)-5-ethyl-6-hydroxy-1-benzofuran-3-yl]methanone Traditional Name: 1,3-benzothiazol-2-yl-[7-(dimethylaminomethyl)-5-ethyl-6-hydroxy-benzofuran-3-yl]methanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CO2)C(=O)C3=NC4=CC=CC=C4S3)CN(C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CO2)C(=O)C3=NC4=CC=CC=C4S3)CN(C)C)O

InChI

InChI=1S/C21H20N2O3S/c1-4-12-9-13-15(11-26-20(13)14(18(12)24)10-23(2)3)19(25)21-22-16-7-5-6-8-17(16)27-21/h5-9,11,24H,4,10H2,1-3H3