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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-propan-2-ylchromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H27NO4S/c1-7-15-12-16-19(13-18(15)31-25(29)26(4,5)6)30-23(14(2)3)21(22(16)28)24-27-17-10-8-9-11-20(17)32-24/h8-14H,7H2,1-6H3