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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-methyl-7-(morpholin-4-ylmethyl)-8-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-hydroxy-4-methyl-7-(morpholinomethyl)chromen-2-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-hydroxy-4-methyl-7-(4-morpholinylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-hydroxy-4-methyl-7-(morpholin-4-ylmethyl)chromen-2-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-hydroxy-4-methyl-7-(morpholinomethyl)coumarin Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C)O)CN5CCOCC5

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C)O)CN5CCOCC5

InChI

InChI=1S/C24H24N2O4S/c1-3-15-12-16-14(2)20(23-25-18-6-4-5-7-19(18)31-23)24(28)30-22(16)21(27)17(15)13-26-8-10-29-11-9-26/h4-7,12,27H,3,8-11,13H2,1-2H3