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

Systemtic Name: 2-(2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoic acid Openeye Name: 2-[2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-(2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl)acetic acid Traditional Name: 2-[5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN(C1=O)CC(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CSC(CN(C1=O)CC(=O)O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H17NO3S/c19-16-7-8-22-15(10-18(16)11-17(20)21)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15H,7-8,10-11H2,(H,20,21)