cyclohexyloxycarbonyloxymethyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate

Systemtic Name: cyclohexyloxycarbonyloxymethyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: cyclohexoxycarbonyloxymethyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoic acid [cyclohexyloxy(oxo)methoxy]methyl ester IUPAC Name: cyclohexyloxycarbonyloxymethyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-[4-(4-amidinophenyl)phenyl]-1,3,4-thiadiazol-2-yl]propionic acid cyclohexoxycarbonyloxymethyl ester Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)OCOC(=O)CCC2=NN=C(S2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)OCOC(=O)CCC2=NN=C(S2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H28N4O5S/c27-24(28)19-10-6-17(7-11-19)18-8-12-20(13-9-18)25-30-29-22(36-25)14-15-23(31)33-16-34-26(32)35-21-4-2-1-3-5-21/h6-13,21H,1-5,14-16H2,(H3,27,28)