methyl 4-[[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzoate CAS Name: 4-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]amino]benzoic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-26-19(25)14-4-6-15(7-5-14)20-13-17(23)21-8-10-22(11-9-21)18(24)16-3-2-12-27-16/h2-7,12,20H,8-11,13H2,1H3