N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

InChI

InChI=1S/C22H21N3O3S/c1-29-17-7-5-16(6-8-17)25-12-14(10-20(25)26)21(27)23-15-4-9-19-18(11-15)24-22(28-19)13-2-3-13/h4-9,11,13-14H,2-3,10,12H2,1H3,(H,23,27)