[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4CCCC4

InChI

InChI=1S/C21H26N2O3S/c24-19(22-14-7-1-2-8-14)13-26-21(25)16-10-4-3-9-15(16)20-23-17-11-5-6-12-18(17)27-20/h5-6,11-12,14-16H,1-4,7-10,13H2,(H,22,24)/t15-,16-/m0/s1