ethyl (2S)-2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: ethyl (2S)-2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: ethyl (2S)-2-[3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl]oxypropanoate CAS Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxypropanoate Traditional Name: (2S)-2-[3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-yl]oxypropionic acid ethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO5S/c1-3-25-20(23)12(2)26-14-9-8-13-10-15(21(24)27-17(13)11-14)19-22-16-6-4-5-7-18(16)28-19/h4-12H,3H2,1-2H3/t12-/m0/s1