4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]thiophene-2-carboxylic acid Openeye Name: 4-[(2-benzyl-3-sulfanyl-propanoyl)amino]thiophene-2-carboxylic acid CAS Name: 4-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-[(2-benzyl-3-sulfanylpropanoyl)amino]thiophene-2-carboxylic acid Traditional Name: 4-[(2-benzyl-3-mercapto-propanoyl)amino]-2-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CSC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CSC(=C2)C(=O)O

InChI

InChI=1S/C15H15NO3S2/c17-14(16-12-7-13(15(18)19)21-9-12)11(8-20)6-10-4-2-1-3-5-10/h1-5,7,9,11,20H,6,8H2,(H,16,17)(H,18,19)