ethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N4O5S/c1-2-31-21(29)19-17(16(11-24)20(25)33-19)12-32-18(28)3-4-26-22(30)27-23-8-13-5-14(9-23)7-15(6-13)10-23/h13-15H,2-10,12,25H2,1H3,(H2,26,27,30)