6-[3-(1,3-benzothiazol-5-yl)prop-2-ynyl]-6-cyclopentyl-oxane-2,4-dione

Systemtic Name: 6-[3-(1,3-benzothiazol-5-yl)prop-2-ynyl]-6-cyclopentyl-oxane-2,4-dione Openeye Name: 6-[3-(1,3-benzothiazol-5-yl)prop-2-ynyl]-6-cyclopentyl-tetrahydropyran-2,4-dione CAS Name: 6-[3-(1,3-benzothiazol-5-yl)prop-2-ynyl]-6-cyclopentyloxane-2,4-dione IUPAC Name: 6-[3-(1,3-benzothiazol-5-yl)prop-2-ynyl]-6-cyclopentyloxane-2,4-dione Traditional Name: 6-[3-(1,3-benzothiazol-5-yl)prop-2-ynyl]-6-cyclopentyl-tetrahydropyran-2,4-quinone Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)CC(=O)O2)CC#CC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1CCC(C1)C2(CC(=O)CC(=O)O2)CC#CC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C20H19NO3S/c22-16-11-19(23)24-20(12-16,15-5-1-2-6-15)9-3-4-14-7-8-18-17(10-14)21-13-25-18/h7-8,10,13,15H,1-2,5-6,9,11-12H2