[3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 3-cyclopentylpropanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 3-cyclopentylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-chromen-7-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxochromen-7-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C)OC(=O)CCC5CCCC5

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C)OC(=O)CCC5CCCC5

InChI

InChI=1S/C26H25NO4S/c1-15-20(31-22(28)14-11-17-7-3-4-8-17)13-12-18-24(29)23(16(2)30-25(15)18)26-27-19-9-5-6-10-21(19)32-26/h5-6,9-10,12-13,17H,3-4,7-8,11,14H2,1-2H3