2-ethoxyethyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-ethoxyethyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-ethoxyethyl 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid 2-ethoxyethyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2

Isomeric SMILES

CCOCCOC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C21H31NO4S/c1-2-25-14-15-26-21(24)18-12-8-9-13-19(18)27-16-20(23)22-17-10-6-4-3-5-7-11-17/h8-9,12-13,17H,2-7,10-11,14-16H2,1H3,(H,22,23)