N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylethanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[2-(methylthio)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[2-(methylthio)acetyl]pyrrolidine-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CSCC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3S/c1-28-13-19(25)24-12-4-6-17(24)20(26)22-15-10-8-14(9-11-15)21-23-16-5-2-3-7-18(16)27-21/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,26)