3-ethoxy-4-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(2-thenoyl)piperazino]ethoxy]benzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-2-26-17-12-15(13-21)5-6-16(17)27-14-19(24)22-7-9-23(10-8-22)20(25)18-4-3-11-28-18/h3-6,11-12H,2,7-10,14H2,1H3