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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-keto-chromen-7-yl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-6-14-12-15-19(13-18(14)30-24(28)25(3,4)5)29-17(7-2)21(22(15)27)23-26-16-10-8-9-11-20(16)31-23/h8-13H,6-7H2,1-5H3