methyl 4-[[2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(cyclooctylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-31-25(30)18-13-15-20(16-14-18)27-24(29)21-11-7-8-12-22(21)32-17-23(28)26-19-9-5-3-2-4-6-10-19/h7-8,11-16,19H,2-6,9-10,17H2,1H3,(H,26,28)(H,27,29)