3-(naphthalen-2-ylmethoxy)-4-[6-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyl]pyridin-3-yl]piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[6-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyl]pyridin-3-yl]piperidine-1-carboxylate Openeye Name: 3-(2-naphthylmethoxy)-4-[6-[2-(2-thioxo-1,3-benzothiazol-3-yl)ethyl]-3-pyridyl]piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[6-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyl]-3-pyridinyl]-1-piperidinecarboxylate IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[6-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyl]pyridin-3-yl]piperidine-1-carboxylate Traditional Name: 3-(2-naphthylmethoxy)-4-[6-[2-(2-thioxo-1,3-benzothiazol-3-yl)ethyl]-3-pyridyl]piperidine-1-carboxylate Formula: C31H28N3O3S2- MolecularWeight: 554.70232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CN=C(C=C2)CCN3C4=CC=CC=C4SC3=S)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CN=C(C=C2)CCN3C4=CC=CC=C4SC3=S)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

InChI

InChI=1S/C31H29N3O3S2/c35-30(36)33-15-14-26(28(19-33)37-20-21-9-10-22-5-1-2-6-23(22)17-21)24-11-12-25(32-18-24)13-16-34-27-7-3-4-8-29(27)39-31(34)38/h1-12,17-18,26,28H,13-16,19-20H2,(H,35,36)/p-1