2-[(3-oxidanylidene-3-thiophen-2-yl-propyl)amino]nonanedioic acid

Systemtic Name: 2-[(3-oxidanylidene-3-thiophen-2-yl-propyl)amino]nonanedioic acid Openeye Name: 2-[[3-oxo-3-(2-thienyl)propyl]amino]nonanedioic acid CAS Name: 2-[(3-oxo-3-thiophen-2-ylpropyl)amino]nonanedioic acid IUPAC Name: 2-[(3-oxo-3-thiophen-2-ylpropyl)amino]nonanedioic acid Traditional Name: 2-[[3-keto-3-(2-thienyl)propyl]amino]azelaic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCNC(CCCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)CCNC(CCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H23NO5S/c18-13(14-7-5-11-23-14)9-10-17-12(16(21)22)6-3-1-2-4-8-15(19)20/h5,7,11-12,17H,1-4,6,8-10H2,(H,19,20)(H,21,22)