2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-[4-(2-thenoyl)piperazino]prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OCC#N

InChI

InChI=1S/C21H21N3O4S/c1-27-18-15-16(4-6-17(18)28-13-8-22)5-7-20(25)23-9-11-24(12-10-23)21(26)19-3-2-14-29-19/h2-7,14-15H,9-13H2,1H3/b7-5+