[(3R)-7-chloranyl-3,7-dimethyl-octyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: [(3R)-7-chloranyl-3,7-dimethyl-octyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: [(3R)-7-chloro-3,7-dimethyl-octyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid [(3R)-7-chloro-3,7-dimethyloctyl] ester IUPAC Name: [(3R)-7-chloro-3,7-dimethyloctyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid [(3R)-7-chloro-3,7-dimethyl-octyl] ester Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O3S/c1-15(7-6-13-21(2,3)22)12-14-27-19(26)11-10-18(25)24-20-23-16-8-4-5-9-17(16)28-20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,23,24,25)/t15-/m1/s1