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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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