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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (7-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO4S/c1-14-9-10-16-15(12-22(25)27-18(16)11-14)13-26-21(24)8-4-7-20-23-17-5-2-3-6-19(17)28-20/h2-3,5-6,9-12H,4,7-8,13H2,1H3