(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H25NO4S/c1-15-13-19(16(2)28-15)20(24)9-10-21(25)27-14-17-5-7-18(8-6-17)22(26)23-11-3-4-12-23/h5-8,13H,3-4,9-12,14H2,1-2H3