methyl 3-[(1-adamantylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(1-adamantylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(adamantane-1-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[1-adamantyl(oxo)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(adamantane-1-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[(adamantane-1-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O4S/c1-32-24(30)21-7-20(8-22(10-21)28-23(29)9-16-2-3-33-15-16)14-27-25(31)26-11-17-4-18(12-26)6-19(5-17)13-26/h2-3,7-8,10,15,17-19H,4-6,9,11-14H2,1H3,(H,27,31)(H,28,29)