methyl 1-[4-[4-[(5-bromanylthiophen-2-yl)carbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-2-methyl-phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-[4-[(5-bromanylthiophen-2-yl)carbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-2-methyl-phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-[4-[(5-bromothiophene-2-carbonyl)amino]-2-oxo-pyrrolidin-1-yl]-2-methyl-benzoyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-[4-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-2-oxo-1-pyrrolidinyl]-2-methylphenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[4-[(5-bromothiophene-2-carbonyl)amino]-2-oxopyrrolidin-1-yl]-2-methylbenzoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[4-[(5-bromothiophene-2-carbonyl)amino]-2-keto-pyrrolidino]-2-methyl-benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H24BrN3O5S MolecularWeight: 534.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Br)C(=O)N4CCCC4C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Br)C(=O)N4CCCC4C(=O)OC

InChI

InChI=1S/C23H24BrN3O5S/c1-13-10-15(5-6-16(13)22(30)26-9-3-4-17(26)23(31)32-2)27-12-14(11-20(27)28)25-21(29)18-7-8-19(24)33-18/h5-8,10,14,17H,3-4,9,11-12H2,1-2H3,(H,25,29)