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

Systemtic Name: [(3R)-3,7-dimethyloct-6-enyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: [(3R)-3,7-dimethyloct-6-enyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid [(3R)-3,7-dimethyloct-6-enyl] ester IUPAC Name: [(3R)-3,7-dimethyloct-6-enyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid [(3R)-3,7-dimethyloct-6-enyl] ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CCOC(=O)CCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](CCC=C(C)C)CCOC(=O)CCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C21H28N2O3S/c1-15(2)7-6-8-16(3)13-14-26-20(25)12-11-19(24)23-21-22-17-9-4-5-10-18(17)27-21/h4-5,7,9-10,16H,6,8,11-14H2,1-3H3,(H,22,23,24)/t16-/m1/s1