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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO4S/c1-2-14-7-8-16-15(12-22(25)27-18(16)11-14)13-26-21(24)10-9-20-23-17-5-3-4-6-19(17)28-20/h3-8,11-12H,2,9-10,13H2,1H3