2-[3-(1,3-benzothiazol-2-yl)-6-(diethylamino)-2-oxidanylidene-chromen-4-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-6-(diethylamino)-2-oxidanylidene-chromen-4-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-6-(diethylamino)-2-oxo-chromen-4-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-6-(diethylamino)-2-oxo-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-6-(diethylamino)-2-oxochromen-4-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-6-(diethylamino)-2-keto-chromen-4-yl]acetic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)OC(=O)C(=C2CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)OC(=O)C(=C2CC(=O)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O4S/c1-3-24(4-2)13-9-10-17-14(11-13)15(12-19(25)26)20(22(27)28-17)21-23-16-7-5-6-8-18(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26)