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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] methanesulfonate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C19H15NO5S2 MolecularWeight: 401.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OS(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OS(=O)(=O)C

InChI

InChI=1S/C19H15NO5S2/c1-3-11-8-12-16(9-15(11)25-27(2,22)23)24-10-13(18(12)21)19-20-14-6-4-5-7-17(14)26-19/h4-10H,3H2,1-2H3