(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCCC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCCC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H19NO5S/c1-13-17(24)10-9-15-14(11-21(26)28-22(13)15)12-27-20(25)8-4-7-19-23-16-5-2-3-6-18(16)29-19/h2-3,5-6,9-11,24H,4,7-8,12H2,1H3