methyl 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C15H18N4O5S2 MolecularWeight: 398.45722

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H18N4O5S2/c1-3-24-8-4-7-16-14-17-18-15(26-14)25-12-6-5-10(19(21)22)9-11(12)13(20)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)