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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-16(2)10-13-23-19(25)15-27-21(26)22(11-6-3-7-12-22)14-20-24-17-8-4-5-9-18(17)28-20/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,23,25)