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

Systemtic Name: 2-[3-(1,3-benzothiazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: 2-[3-(1,3-benzothiazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(1,3-benzothiazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]acetate IUPAC Name: 2-[3-(1,3-benzothiazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxyacetate Traditional Name: 2-[3-(1,3-benzothiazol-3-ium-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl]oxyacetate Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=[NH+]C4=CC=CC=C4S3)OCC(=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=[NH+]C4=CC=CC=C4S3)OCC(=O)[O-]

InChI

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