pyridin-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: pyridin-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-pyridylmethyl 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid 2-pyridylmethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C23H28N2O3S/c26-22(25-18-10-4-2-1-3-5-11-18)17-29-21-14-7-6-13-20(21)23(27)28-16-19-12-8-9-15-24-19/h6-9,12-15,18H,1-5,10-11,16-17H2,(H,25,26)