(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H19NO5S/c24-15-9-10-16-14(11-22(26)28-18(16)12-15)13-27-21(25)8-4-3-7-20-23-17-5-1-2-6-19(17)29-20/h1-2,5-6,9-12,24H,3-4,7-8,13H2