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

Systemtic Name: tert-butyl (4S)-4-aminocarbonyl-2-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5,5-dimethyl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-2-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-4-carbamoyl-5,5-dimethyl-thiazolidine-3-carboxylate CAS Name: (4S)-2-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-4-carbamoyl-5,5-dimethyl-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-2-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-4-carbamoyl-5,5-dimethyl-1,3-thiazolidine-3-carboxylate Traditional Name: (4S)-2-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-4-carbamoyl-5,5-dimethyl-thiazolidine-3-carboxylic acid tert-butyl ester Formula: C24H27BrN4O3S2 MolecularWeight: 563.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(S1)C2=CN(N=C2C3=CC=C(S3)Br)C4=CC=CC=C4)C(=O)OC(C)(C)C)C(=O)N)C

Isomeric SMILES

CC1([C@@H](N(C(S1)C2=CN(N=C2C3=CC=C(S3)Br)C4=CC=CC=C4)C(=O)OC(C)(C)C)C(=O)N)C

InChI

InChI=1S/C24H27BrN4O3S2/c1-23(2,3)32-22(31)29-19(20(26)30)24(4,5)34-21(29)15-13-28(14-9-7-6-8-10-14)27-18(15)16-11-12-17(25)33-16/h6-13,19,21H,1-5H3,(H2,26,30)/t19-,21?/m0/s1