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

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)chromone Formula: C26H25F3N2O3S MolecularWeight: 502.54851

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN5CCCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN5CCCCCC5)O

InChI

InChI=1S/C26H25F3N2O3S/c1-2-15-13-16-22(33)20(25-30-18-9-5-6-10-19(18)35-25)24(26(27,28)29)34-23(16)17(21(15)32)14-31-11-7-3-4-8-12-31/h5-6,9-10,13,32H,2-4,7-8,11-12,14H2,1H3