[(3R)-3,7-dimethyloct-6-en-1-yn-3-yl] 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: [(3R)-3,7-dimethyloct-6-en-1-yn-3-yl] 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: [(1R)-1-ethynyl-1,5-dimethyl-hex-4-enyl] 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid [(3R)-3,7-dimethyloct-6-en-1-yn-3-yl] ester IUPAC Name: [(3R)-3,7-dimethyloct-6-en-1-yn-3-yl] 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid [(1R)-1-ethynyl-1,5-dimethyl-hex-4-enyl] ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C#C)OC(=O)CN1C2=C(C=CC=C2Cl)SC1=O)C

Isomeric SMILES

CC(=CCC[C@](C)(C#C)OC(=O)CN1C2=C(C=CC=C2Cl)SC1=O)C

InChI

InChI=1S/C19H20ClNO3S/c1-5-19(4,11-7-8-13(2)3)24-16(22)12-21-17-14(20)9-6-10-15(17)25-18(21)23/h1,6,8-10H,7,11-12H2,2-4H3/t19-/m0/s1