(4S)-2-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: (4S)-2-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: (4S)-2-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]thiazolidine-4-carboxylic acid CAS Name: (4S)-2-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-4-thiazolidinecarboxylic acid IUPAC Name: (4S)-2-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: (4S)-2-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]thiazolidine-4-carboxylic acid Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(S1)C2=CN(N=C2C3=CC=C(S3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](NC(S1)C2=CN(N=C2C3=CC=C(S3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C17H14BrN3O2S2/c18-14-7-6-13(25-14)15-11(16-19-12(9-24-16)17(22)23)8-21(20-15)10-4-2-1-3-5-10/h1-8,12,16,19H,9H2,(H,22,23)/t12-,16?/m1/s1