2-methylpropyl 3,5-bis(azanyl)-4-ethylsulfanyl-benzoate

Systemtic Name: 2-methylpropyl 3,5-bis(azanyl)-4-ethylsulfanyl-benzoate Openeye Name: isobutyl 3,5-diamino-4-ethylsulfanyl-benzoate CAS Name: 3,5-diamino-4-(ethylthio)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,5-diamino-4-ethylsulfanylbenzoate Traditional Name: 3,5-diamino-4-(ethylthio)benzoic acid isobutyl ester Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1N)C(=O)OCC(C)C)N

Isomeric SMILES

CCSC1=C(C=C(C=C1N)C(=O)OCC(C)C)N

InChI

InChI=1S/C13H20N2O2S/c1-4-18-12-10(14)5-9(6-11(12)15)13(16)17-7-8(2)3/h5-6,8H,4,7,14-15H2,1-3H3