methyl 2-[[2-(1-adamantyl)pyridin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1-adamantyl)pyridin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-adamantyl)-4-pyridinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)isonicotinoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30N2O3S/c1-31-25(30)22-19-4-2-3-5-20(19)32-24(22)28-23(29)18-6-7-27-21(11-18)26-12-15-8-16(13-26)10-17(9-15)14-26/h6-7,11,15-17H,2-5,8-10,12-14H2,1H3,(H,28,29)