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

Systemtic Name: ethyl 2-(1-adamantylcarbonyl)-3-azanyl-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonyl)-3-amino-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 2-[1-adamantyl(oxo)methyl]-3-amino-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonyl)-3-amino-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 2-(adamantane-1-carbonyl)-3-amino-4-(4-carbomethoxyphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C45CC6CC(C4)CC(C6)C5)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C45CC6CC(C4)CC(C6)C5)N)C

InChI

InChI=1S/C30H34N2O5S/c1-4-37-29(35)21-15(2)32-27-23(22(21)19-5-7-20(8-6-19)28(34)36-3)24(31)25(38-27)26(33)30-12-16-9-17(13-30)11-18(10-16)14-30/h5-8,16-18,22,32H,4,9-14,31H2,1-3H3