tert-butyl (4S)-4-aminocarbonyl-2-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-4-aminocarbonyl-2-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-2-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-4-carbamoyl-thiazolidine-3-carboxylate CAS Name: (4S)-2-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-4-carbamoyl-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-2-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-4-carbamoyl-1,3-thiazolidine-3-carboxylate Traditional Name: (4S)-2-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-4-carbamoyl-thiazolidine-3-carboxylic acid tert-butyl ester Formula: C22H23BrN4O3S2 MolecularWeight: 535.47702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN(N=C2C3=CC=C(S3)Br)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CSC1C2=CN(N=C2C3=CC=C(S3)Br)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H23BrN4O3S2/c1-22(2,3)30-21(29)27-15(19(24)28)12-31-20(27)14-11-26(13-7-5-4-6-8-13)25-18(14)16-9-10-17(23)32-16/h4-11,15,20H,12H2,1-3H3,(H2,24,28)/t15-,20?/m1/s1