2-[[3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-2-yl]methoxy]ethanoate

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-2-yl]methoxy]ethanoate Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-chromen-2-yl]methoxy]acetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-1-benzopyran-2-yl]methoxy]acetate IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propylchromen-2-yl]methoxy]acetate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-6-propyl-chromen-2-yl]methoxy]acetate Formula: C22H18NO6S- MolecularWeight: 424.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)COCC(=O)[O-])C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)COCC(=O)[O-])C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H19NO6S/c1-2-5-12-8-13-16(9-15(12)24)29-17(10-28-11-19(25)26)20(21(13)27)22-23-14-6-3-4-7-18(14)30-22/h3-4,6-9,24H,2,5,10-11H2,1H3,(H,25,26)/p-1