(3R)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C20H19BrN4O3S/c1-28-16-4-2-3-15(9-16)24-10-13(7-19(24)26)20(27)23-18-5-6-22-25(18)11-17-8-14(21)12-29-17/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,23,27)/t13-/m1/s1