methyl 3-[(3-chloranyl-1-adamantyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-chloranyl-1-adamantyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-chloroadamantane-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-chloroadamantane-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-chloroadamantane-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H20ClNO3S MolecularWeight: 353.8636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C17H20ClNO3S/c1-22-14(20)13-12(2-3-23-13)19-15(21)16-5-10-4-11(6-16)8-17(18,7-10)9-16/h2-3,10-11H,4-9H2,1H3,(H,19,21)