[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-[1-cyclopentenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-[cyclopenten-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCC1)C(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=CCCC1)C(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N2O3S/c1-2-25(16-9-3-4-10-16)21(26)15-28-23(27)18-12-6-5-11-17(18)22-24-19-13-7-8-14-20(19)29-22/h7-9,13-14,17-18H,2-6,10-12,15H2,1H3