2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O5S2/c1-2-30(26,27)14-5-6-18-15(10-14)22-20(28-18)29-12-17(24)13-9-16(21-11-13)19(25)23-7-3-4-8-23/h5-6,9-11,21H,2-4,7-8,12H2,1H3