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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)[C@H]1CCCC[C@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N2O3S/c1-14(2)11-12-22-19(24)13-26-21(25)16-8-4-3-7-15(16)20-23-17-9-5-6-10-18(17)27-20/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H,22,24)/t15-,16+/m1/s1