dimethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)OC)N

InChI

InChI=1S/C23H31N3O7S/c1-31-20(28)17-15(18(21(29)32-2)34-19(17)24)11-33-16(27)3-4-25-22(30)26-23-8-12-5-13(9-23)7-14(6-12)10-23/h12-14H,3-11,24H2,1-2H3,(H2,25,26,30)