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

Systemtic Name: methyl 3-methoxy-4-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]benzoate Openeye Name: methyl 3-methoxy-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzoate CAS Name: 3-methoxy-4-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[4-(2-thenoyl)piperazino]ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-26-16-12-14(20(25)27-2)5-6-15(16)28-13-18(23)21-7-9-22(10-8-21)19(24)17-4-3-11-29-17/h3-6,11-12H,7-10,13H2,1-2H3