methyl (4R)-2-(1-adamantylcarbonyl)-3-azanyl-6-methyl-4-thiophen-2-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: methyl (4R)-2-(1-adamantylcarbonyl)-3-azanyl-6-methyl-4-thiophen-2-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: methyl (4R)-2-(adamantane-1-carbonyl)-3-amino-6-methyl-4-(2-thienyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: (4R)-2-[1-adamantyl(oxo)methyl]-3-amino-6-methyl-4-thiophen-2-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2-(adamantane-1-carbonyl)-3-amino-6-methyl-4-thiophen-2-yl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: (4R)-2-(adamantane-1-carbonyl)-3-amino-6-methyl-4-(2-thienyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)SC(=C2N)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C2=C(N1)SC(=C2N)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6)C(=O)OC

InChI

InChI=1S/C25H28N2O3S2/c1-12-17(24(29)30-2)18(16-4-3-5-31-16)19-20(26)21(32-23(19)27-12)22(28)25-9-13-6-14(10-25)8-15(7-13)11-25/h3-5,13-15,18,27H,6-11,26H2,1-2H3/t13?,14?,15?,18-,25?/m1/s1