[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)COC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)COC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3O3S/c25-17-24(13-5-1-2-6-14-24)27-20(28)16-30-22(29)23(11-7-8-12-23)15-21-26-18-9-3-4-10-19(18)31-21/h3-4,9-10H,1-2,5-8,11-16H2,(H,27,28)