ethyl 2-(1-adamantylcarbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO5S/c1-4-32-24(28)22-19(18-5-6-20(30-2)21(10-18)31-3)14-33-23(22)27-25(29)26-11-15-7-16(12-26)9-17(8-15)13-26/h5-6,10,14-17H,4,7-9,11-13H2,1-3H3,(H,27,29)