2-butyl-3-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-butyl-3-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-butyl-3-[2-(m-tolylcarbamoylamino)acetyl]thiazolidine-4-carboxylic acid CAS Name: 2-butyl-3-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-butyl-3-[2-[(3-methylphenyl)carbamoylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-butyl-3-[2-(m-tolylcarbamoylamino)acetyl]thiazolidine-4-carboxylic acid Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C(CS1)C(=O)O)C(=O)CNC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCC1N(C(CS1)C(=O)O)C(=O)CNC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C18H25N3O4S/c1-3-4-8-16-21(14(11-26-16)17(23)24)15(22)10-19-18(25)20-13-7-5-6-12(2)9-13/h5-7,9,14,16H,3-4,8,10-11H2,1-2H3,(H,23,24)(H2,19,20,25)