3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide

Systemtic Name: 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide CAS Name: 3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-[2-(prop-2-enylthio)phenyl]propanamide IUPAC Name: 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propionamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C23H25N3O5S2/c1-2-15-32-21-8-4-3-7-18(21)24-22(27)11-14-26-19-10-9-17(16-20(19)31-23(26)28)33(29,30)25-12-5-6-13-25/h2-4,7-10,16H,1,5-6,11-15H2,(H,24,27)