methyl 4-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-oxo-2-(2-thienyl)ethyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-oxo-2-thiophen-2-ylethyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[2-keto-2-(2-thienyl)ethyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-25-19(24)15-6-4-14(5-7-15)18(23)21-10-8-20(9-11-21)13-16(22)17-3-2-12-26-17/h2-7,12H,8-11,13H2,1H3