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

Systemtic Name: [(3R)-3,7-dimethyloct-6-enyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [(3R)-3,7-dimethyloct-6-enyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-ethoxy-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-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid [(3R)-3,7-dimethyloct-6-enyl] ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCCC(C)CCC=C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC[C@H](C)CCC=C(C)C

InChI

InChI=1S/C23H32N2O4S/c1-5-28-18-9-10-19-20(15-18)30-23(24-19)25-21(26)11-12-22(27)29-14-13-17(4)8-6-7-16(2)3/h7,9-10,15,17H,5-6,8,11-14H2,1-4H3,(H,24,25,26)/t17-/m1/s1