N-(3-acetamido-4-methoxy-phenyl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C21H23N3O4S/c1-13(25)22-18-11-15(4-9-19(18)28-2)23-21(27)14-10-20(26)24(12-14)16-5-7-17(29-3)8-6-16/h4-9,11,14H,10,12H2,1-3H3,(H,22,25)(H,23,27)