[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H30N2O3S/c1-17(21(26)25-14-8-2-3-9-15-25)28-22(27)23(12-6-7-13-23)16-20-24-18-10-4-5-11-19(18)29-20/h4-5,10-11,17H,2-3,6-9,12-16H2,1H3