2-[5-[(2-oxidanylideneazepan-3-yl)carbamoyl]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-[(2-oxidanylideneazepan-3-yl)carbamoyl]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[5-[(2-oxoazepan-3-yl)carbamoyl]-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[5-[oxo-[(2-oxo-3-azepanyl)amino]methyl]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[5-[(2-oxoazepan-3-yl)carbamoyl]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-[(2-ketoazepan-3-yl)carbamoyl]-2-pyridyl]thio]acetic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(C=C2)SCC(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(C=C2)SCC(=O)O

InChI

InChI=1S/C14H17N3O4S/c18-12(19)8-22-11-5-4-9(7-16-11)13(20)17-10-3-1-2-6-15-14(10)21/h4-5,7,10H,1-3,6,8H2,(H,15,21)(H,17,20)(H,18,19)