methyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoyloxy]benzoate Openeye Name: methyl 4-[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]oxybenzoate CAS Name: 4-[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]oxybenzoate Traditional Name: 4-[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]oxybenzoic acid methyl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19NO6S2/c1-24-18(21)13-4-6-14(7-5-13)25-16(20)12-15-8-9-17(26-15)27(22,23)19-10-2-3-11-19/h4-9H,2-3,10-12H2,1H3