2-(2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl)propanoic acid

Systemtic Name: 2-(2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl)propanoic acid Openeye Name: 2-[2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-(2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl)propanoic acid Traditional Name: 2-[5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]propionic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CC(SCCC1=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)O)N1CC(SCCC1=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H19NO3S/c1-12(18(21)22)19-11-16(23-9-8-17(19)20)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3,(H,21,22)