8-oxidanylidene-8-[(1-phenyl-3-sulfanyl-propan-2-yl)amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[(1-phenyl-3-sulfanyl-propan-2-yl)amino]octanoic acid Openeye Name: 8-[(1-benzyl-2-sulfanyl-ethyl)amino]-8-oxo-octanoic acid CAS Name: 8-[(1-mercapto-3-phenylpropan-2-yl)amino]-8-oxooctanoic acid IUPAC Name: 8-oxo-8-[(1-phenyl-3-sulfanylpropan-2-yl)amino]octanoic acid Traditional Name: 8-[(1-benzyl-2-mercapto-ethyl)amino]-8-keto-caprylic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C17H25NO3S/c19-16(10-6-1-2-7-11-17(20)21)18-15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13H2,(H,18,19)(H,20,21)