[[4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)phenyl]carbonylamino] benzoate

Systemtic Name: [[4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)phenyl]carbonylamino] benzoate Openeye Name: [[4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)benzoyl]amino] benzoate CAS Name: benzoic acid [[[4-(1-adamantyl)-3-(1-methoxyethoxymethoxythio)phenyl]-oxomethyl]amino] ester IUPAC Name: [[4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)benzoyl]amino] benzoate Traditional Name: benzoic acid [[4-(1-adamantyl)-3-(1-methoxyethoxymethoxythio)benzoyl]amino] ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOSC1=C(C=CC(=C1)C(=O)NOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOSC1=C(C=CC(=C1)C(=O)NOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO6S/c1-18(32-2)33-17-34-36-25-13-23(26(30)29-35-27(31)22-6-4-3-5-7-22)8-9-24(25)28-14-19-10-20(15-28)12-21(11-19)16-28/h3-9,13,18-21H,10-12,14-17H2,1-2H3,(H,29,30)