2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]thiazole-4-carboxylic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]thiazole-4-carboxylic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=NC(=CS2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C14H14N2O3S2/c17-12(16-14-15-11(8-21-14)13(18)19)10(7-20)6-9-4-2-1-3-5-9/h1-5,8,10,20H,6-7H2,(H,18,19)(H,15,16,17)