2-[5-[(4-iodophenyl)carbamoyl]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-[(4-iodophenyl)carbamoyl]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[5-[(4-iodophenyl)carbamoyl]-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-iodoanilino)-oxomethyl]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[5-[(4-iodophenyl)carbamoyl]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-[(4-iodophenyl)carbamoyl]-2-pyridyl]thio]acetic acid Formula: C14H11IN2O3S MolecularWeight: 414.21821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)SCC(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)SCC(=O)O)I

InChI

InChI=1S/C14H11IN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)