butyl 4-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2S)-1-(2-thenoyl)prolyl]amino]benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-2-3-13-27-21(26)15-8-10-16(11-9-15)22-19(24)17-6-4-12-23(17)20(25)18-7-5-14-28-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3,(H,22,24)/t17-/m0/s1