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

Systemtic Name: ethyl 2-[(3-chloranyl-1-adamantyl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloroadamantane-1-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloroadamantane-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(3-chloroadamantane-1-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26ClNO3S MolecularWeight: 395.94334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO3S/c1-4-25-17(23)15-11(2)12(3)26-16(15)22-18(24)19-6-13-5-14(7-19)9-20(21,8-13)10-19/h13-14H,4-10H2,1-3H3,(H,22,24)