methyl 3-[[1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(4-bromo-3-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(4-bromo-3-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(4-bromo-3-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC(CC(=O)OC)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC(CC(=O)OC)C3=CC=CS3)Br

InChI

InChI=1S/C20H21BrN2O4S/c1-12-8-14(5-6-15(12)21)23-11-13(9-18(23)24)20(26)22-16(10-19(25)27-2)17-4-3-7-28-17/h3-8,13,16H,9-11H2,1-2H3,(H,22,26)