ethyl 4-[[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(1-adamantylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid ethyl ester Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H32N2O4S/c1-2-34-27(33)21-7-9-22(10-8-21)29-26(32)23-5-3-4-6-24(23)35-17-25(31)30-28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,18-20H,2,11-17H2,1H3,(H,29,32)(H,30,31)