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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 3-cyclopentylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-8-methyl-4-oxo-chromen-7-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4S/c1-16(2)26-24(28-29-20-10-6-7-11-22(20)34-28)25(31)19-13-14-21(17(3)27(19)33-26)32-23(30)15-12-18-8-4-5-9-18/h6-7,10-11,13-14,16,18H,4-5,8-9,12,15H2,1-3H3