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

Systemtic Name: 1,3-benzothiazol-2-yl-[5-ethyl-2-methyl-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanone Openeye Name: 1,3-benzothiazol-2-yl-[5-ethyl-6-hydroxy-2-methyl-7-(1-piperidylmethyl)benzofuran-3-yl]methanone CAS Name: 1,3-benzothiazol-2-yl-[5-ethyl-6-hydroxy-2-methyl-7-(1-piperidinylmethyl)-3-benzofuranyl]methanone IUPAC Name: 1,3-benzothiazol-2-yl-[5-ethyl-6-hydroxy-2-methyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanone Traditional Name: 1,3-benzothiazol-2-yl-[5-ethyl-6-hydroxy-2-methyl-7-(piperidinomethyl)benzofuran-3-yl]methanone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=C(O2)C)C(=O)C3=NC4=CC=CC=C4S3)CN5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=C(O2)C)C(=O)C3=NC4=CC=CC=C4S3)CN5CCCCC5)O

InChI

InChI=1S/C25H26N2O3S/c1-3-16-13-17-21(23(29)25-26-19-9-5-6-10-20(19)31-25)15(2)30-24(17)18(22(16)28)14-27-11-7-4-8-12-27/h5-6,9-10,13,28H,3-4,7-8,11-12,14H2,1-2H3