5-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)-3-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)-3-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile CAS Name: 5-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)-3-oxo-2-[oxo(1-piperidinyl)methyl]pentanenitrile IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile Traditional Name: 5-(1,3-benzothiazol-2-yl)-3-keto-2-(2-nitrophenoxy)-2-(piperidine-1-carbonyl)valeronitrile Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C#N)(C(=O)CCC2=NC3=CC=CC=C3S2)OC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C(C#N)(C(=O)CCC2=NC3=CC=CC=C3S2)OC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S/c25-16-24(23(30)27-14-6-1-7-15-27,33-19-10-4-3-9-18(19)28(31)32)21(29)12-13-22-26-17-8-2-5-11-20(17)34-22/h2-5,8-11H,1,6-7,12-15H2