2-(4-tert-butylphenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-3-heptanoyl-thiazolidine-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-3-(1-oxoheptyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-3-enanthyl-thiazolidine-4-carboxylic acid Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(CSC1C2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCC(=O)N1C(CSC1C2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H31NO3S/c1-5-6-7-8-9-18(23)22-17(20(24)25)14-26-19(22)15-10-12-16(13-11-15)21(2,3)4/h10-13,17,19H,5-9,14H2,1-4H3,(H,24,25)