[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 3-[(2-ketopyrrolidino)methyl]benzoic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

InChI=1S/C22H26N2O4S/c1-15(2)21(18-8-5-11-29-18)23-19(25)14-28-22(27)17-7-3-6-16(12-17)13-24-10-4-9-20(24)26/h3,5-8,11-12,15,21H,4,9-10,13-14H2,1-2H3,(H,23,25)