3-(7,7a-dihydro-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one

Systemtic Name: 3-(7,7a-dihydro-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one Openeye Name: 3-(7,7a-dihydro-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one CAS Name: 3-(7,7a-dihydro-1,3-benzothiazol-2-yl)-7-(diethylamino)-1-benzopyran-2-one IUPAC Name: 3-(7,7a-dihydro-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one Traditional Name: 3-(7,7a-dihydro-1,3-benzothiazol-2-yl)-7-(diethylamino)coumarin Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CCC4S3

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CCC4S3

InChI

InChI=1S/C20H20N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-7,9-12,18H,3-4,8H2,1-2H3