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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(1-pyrrolidinylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-(pyrrolidinomethyl)chromone Formula: C24H24N2O3S MolecularWeight: 420.52396

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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)CN5CCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCCC5)O

InChI

InChI=1S/C24H24N2O3S/c1-3-15-12-16-22(28)20(24-25-18-8-4-5-9-19(18)30-24)14(2)29-23(16)17(21(15)27)13-26-10-6-7-11-26/h4-5,8-9,12,27H,3,6-7,10-11,13H2,1-2H3