3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxidanylidene-chromene-4-carboxylate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxidanylidene-chromene-4-carboxylate Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxo-chromene-4-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxo-1-benzopyran-4-carboxylate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-keto-chromene-4-carboxylate Formula: C21H17N2O4S- MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C(=O)[O-]

InChI

InChI=1S/C21H18N2O4S/c1-3-23(4-2)12-9-10-13-15(11-12)27-21(26)18(17(13)20(24)25)19-22-14-7-5-6-8-16(14)28-19/h5-11H,3-4H2,1-2H3,(H,24,25)/p-1