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

Systemtic Name: 4-[[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]thiophene-2-carboxylic acid Openeye Name: 4-[[2-(3-pyridylmethyl)-3-sulfanyl-propanoyl]amino]thiophene-2-carboxylic acid CAS Name: 4-[[2-(mercaptomethyl)-1-oxo-3-(3-pyridinyl)propyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-[[2-(pyridin-3-ylmethyl)-3-sulfanylpropanoyl]amino]thiophene-2-carboxylic acid Traditional Name: 4-[[2-(mercaptomethyl)-3-(3-pyridyl)propanoyl]amino]-2-thenoic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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