[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-chromen-7-yl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO4S/c1-21(2,3)20(24)26-12-8-9-13-16(10-12)25-11-14(18(13)23)19-22-15-6-4-5-7-17(15)27-19/h4-11H,1-3H3