ethyl 2-(1-adamantylcarbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4S/c1-3-30-23(27)21-20(18-4-6-19(29-2)7-5-18)14-31-22(21)26-24(28)25-11-15-8-16(12-25)10-17(9-15)13-25/h4-7,14-17H,3,8-13H2,1-2H3,(H,26,28)