methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethoxy]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-[4-(2-thenoyl)piperazino]ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O6S/c1-29-22(28)17-7-4-16(5-8-17)6-9-20(26)30-15-19(25)23-10-12-24(13-11-23)21(27)18-3-2-14-31-18/h2-9,14H,10-13,15H2,1H3/b9-6+