(5S)-3-oxidanylidene-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyliminomethyl]-5-thiophen-2-yl-cyclohexen-1-olate

Systemtic Name: (5S)-3-oxidanylidene-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyliminomethyl]-5-thiophen-2-yl-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-(2-thienyl)cyclohexen-1-olate CAS Name: (5S)-2-[2-(4-benzoyl-1-piperazinyl)ethyliminomethyl]-3-oxo-5-thiophen-2-yl-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-thiophen-2-ylcyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-benzoylpiperazino)ethyliminomethyl]-3-keto-5-(2-thienyl)cyclohexen-1-olate Formula: C24H26N3O3S- MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN=CC2=C(CC(CC2=O)C3=CC=CS3)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCN=CC2=C(C[C@@H](CC2=O)C3=CC=CS3)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c28-21-15-19(23-7-4-14-31-23)16-22(29)20(21)17-25-8-9-26-10-12-27(13-11-26)24(30)18-5-2-1-3-6-18/h1-7,14,17,19,28H,8-13,15-16H2/p-1/t19-/m0/s1