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

Systemtic Name: 6-[4-(1,3-benzothiazol-6-yl)but-3-ynyl]-6-cyclopentyl-oxane-2,4-dione Openeye Name: 6-[4-(1,3-benzothiazol-6-yl)but-3-ynyl]-6-cyclopentyl-tetrahydropyran-2,4-dione CAS Name: 6-[4-(1,3-benzothiazol-6-yl)but-3-ynyl]-6-cyclopentyloxane-2,4-dione IUPAC Name: 6-[4-(1,3-benzothiazol-6-yl)but-3-ynyl]-6-cyclopentyloxane-2,4-dione Traditional Name: 6-[4-(1,3-benzothiazol-6-yl)but-3-ynyl]-6-cyclopentyl-tetrahydropyran-2,4-quinone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)CC(=O)O2)CCC#CC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCC(C1)C2(CC(=O)CC(=O)O2)CCC#CC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H21NO3S/c23-17-12-20(24)25-21(13-17,16-6-1-2-7-16)10-4-3-5-15-8-9-18-19(11-15)26-14-22-18/h8-9,11,14,16H,1-2,4,6-7,10,12-13H2