ethyl 2-[(3-chloranyl-1-adamantyl)carbonylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-adamantyl)carbonylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloroadamantane-1-carbonyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloroadamantane-1-carbonyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chloroadamantane-1-carbonyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClN2O4S/c1-4-28-18(26)14-11(2)15(16(25)23-3)29-17(14)24-19(27)20-6-12-5-13(7-20)9-21(22,8-12)10-20/h12-13H,4-10H2,1-3H3,(H,23,25)(H,24,27)