methyl 3,5-bis(azanyl)-2-ethyl-4,6-bis(propylsulfanyl)benzoate

Systemtic Name: methyl 3,5-bis(azanyl)-2-ethyl-4,6-bis(propylsulfanyl)benzoate Openeye Name: methyl 3,5-diamino-2-ethyl-4,6-bis(propylsulfanyl)benzoate CAS Name: 3,5-diamino-2-ethyl-4,6-bis(propylthio)benzoic acid methyl ester IUPAC Name: methyl 3,5-diamino-2-ethyl-4,6-bis(propylsulfanyl)benzoate Traditional Name: 3,5-diamino-2-ethyl-4,6-bis(propylthio)benzoic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(C(=C1C(=O)OC)CC)N)SCCC)N

Isomeric SMILES

CCCSC1=C(C(=C(C(=C1C(=O)OC)CC)N)SCCC)N

InChI

InChI=1S/C16H26N2O2S2/c1-5-8-21-14-11(16(19)20-4)10(7-3)12(17)15(13(14)18)22-9-6-2/h5-9,17-18H2,1-4H3