3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-oxidanyl-8-(piperidin-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-oxidanyl-8-(piperidin-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(1-piperidylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(1-piperidinylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(piperidinomethyl)chromone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-3-16-13-17-23(29)21(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