[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] methanesulfonate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] methanesulfonate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OS(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OS(=O)(=O)C

InChI

InChI=1S/C20H17NO5S2/c1-4-12-9-13-16(10-15(12)26-28(3,23)24)25-11(2)18(19(13)22)20-21-14-7-5-6-8-17(14)27-20/h5-10H,4H2,1-3H3