[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H30N2O3S/c1-15(2)16(3)23-19(25)14-27-21(26)22(11-7-4-8-12-22)13-20-24-17-9-5-6-10-18(17)28-20/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3,(H,23,25)