3-(naphthalen-2-ylmethylsulfanyl)-4-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethylsulfanyl)-4-oxidanylidene-piperidine-1-carboxylate Openeye Name: 3-(2-naphthylmethylsulfanyl)-4-oxo-piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethylthio)-4-oxo-1-piperidinecarboxylate IUPAC Name: 3-(naphthalen-2-ylmethylsulfanyl)-4-oxopiperidine-1-carboxylate Traditional Name: 4-keto-3-(2-naphthylmethylthio)piperidine-1-carboxylate Formula: C17H16NO3S- MolecularWeight: 314.37884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=O)SCC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1=O)SCC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

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