(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)NC(=O)C)C

InChI

InChI=1S/C21H24N2O4S/c1-13-14(2)28-19(22-15(3)24)18(13)21(26)27-12-16-6-8-17(9-7-16)20(25)23-10-4-5-11-23/h6-9H,4-5,10-12H2,1-3H3,(H,22,24)