[(3R)-3,7-dimethyloct-6-enyl] 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [(3R)-3,7-dimethyloct-6-enyl] 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [(3R)-3,7-dimethyloct-6-enyl] 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid [(3R)-3,7-dimethyloct-6-enyl] ester IUPAC Name: [(3R)-3,7-dimethyloct-6-enyl] 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]butyric acid [(3R)-3,7-dimethyloct-6-enyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CCOC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC

Isomeric SMILES

C[C@H](CCC=C(C)C)CCOC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC

InChI

InChI=1S/C22H30N2O4S/c1-15(2)6-5-7-16(3)12-13-28-21(26)11-10-20(25)24-22-23-18-9-8-17(27-4)14-19(18)29-22/h6,8-9,14,16H,5,7,10-13H2,1-4H3,(H,23,24,25)/t16-/m1/s1