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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 3-cyclopentylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-chromen-7-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxochromen-7-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-chromen-7-yl] ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO4S/c1-15-20(30-22(27)13-10-16-6-2-3-7-16)12-11-17-23(28)18(14-29-24(15)17)25-26-19-8-4-5-9-21(19)31-25/h4-5,8-9,11-12,14,16H,2-3,6-7,10,13H2,1H3