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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C(C)(C)C

InChI

InChI=1S/C23H21NO4S/c1-5-13-10-14-18(11-17(13)28-22(26)23(2,3)4)27-12-15(20(14)25)21-24-16-8-6-7-9-19(16)29-21/h6-12H,5H2,1-4H3