methyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]thiazole-5-carboxylate CAS Name: 2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C16H19ClN2O3S/c1-22-12(20)11-7-18-14(23-11)19-13(21)15-3-9-2-10(4-15)6-16(17,5-9)8-15/h7,9-10H,2-6,8H2,1H3,(H,18,19,21)/t9-,10+,15?,16?