(2R)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N2O4S2/c1-2-29(25,26)16-10-11-18-17(14-16)22-21(27-18)28-19(15-8-4-3-5-9-15)20(24)23-12-6-7-13-23/h3-5,8-11,14,19H,2,6-7,12-13H2,1H3/t19-/m1/s1