methyl 3-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(5-oxo-1-phenethyl-pyrrolidine-3-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[oxo-(5-oxo-1-phenethyl-3-pyrrolidinyl)methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-oxo-1-phenethylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(5-keto-1-phenethyl-pyrrolidine-3-carbonyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-27-20(25)13-17(18-8-5-11-28-18)22-21(26)16-12-19(24)23(14-16)10-9-15-6-3-2-4-7-15/h2-8,11,16-17H,9-10,12-14H2,1H3,(H,22,26)