ethyl 2-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C19H25BrN2O3S MolecularWeight: 441.3824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C

InChI

InChI=1S/C19H25BrN2O3S/c1-3-25-16(24)15-11(2)21-17(26-15)22-14(23)9-18-5-12-4-13(6-18)8-19(20,7-12)10-18/h12-13H,3-10H2,1-2H3,(H,21,22,23)/t12-,13+,18?,19?