[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (1R,5S)-9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (1R,5S)-9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: (1R,5S)-9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: (1R,5S)-9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C3CC4CCCC(C3)C4=O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C

InChI

InChI=1S/C21H24N2O4S/c1-11-6-12(2)18-16(7-11)28-21(23-18)22-17(24)10-27-20(26)15-8-13-4-3-5-14(9-15)19(13)25/h6-7,13-15H,3-5,8-10H2,1-2H3,(H,22,23,24)/t13-,14+,15?