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

Systemtic Name: 3-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-benzyl-3-[2-(m-tolylcarbamoylamino)acetyl]thiazolidine-4-carboxylic acid CAS Name: 3-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]-2-(phenylmethyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-benzyl-3-[2-[(3-methylphenyl)carbamoylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-benzyl-3-[2-(m-tolylcarbamoylamino)acetyl]thiazolidine-4-carboxylic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2C(CSC2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2C(CSC2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H23N3O4S/c1-14-6-5-9-16(10-14)23-21(28)22-12-18(25)24-17(20(26)27)13-29-19(24)11-15-7-3-2-4-8-15/h2-10,17,19H,11-13H2,1H3,(H,26,27)(H2,22,23,28)