imidazol-1-yl 2-(4-aminophenyl)sulfanyl-2-methyl-butanoate

Systemtic Name: imidazol-1-yl 2-(4-aminophenyl)sulfanyl-2-methyl-butanoate Openeye Name: imidazol-1-yl 2-(4-aminophenyl)sulfanyl-2-methyl-butanoate CAS Name: 2-[(4-aminophenyl)thio]-2-methylbutanoic acid 1-imidazolyl ester IUPAC Name: imidazol-1-yl 2-(4-aminophenyl)sulfanyl-2-methylbutanoate Traditional Name: 2-[(4-aminophenyl)thio]-2-methyl-butyric acid imidazol-1-yl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)ON1C=CN=C1)SC2=CC=C(C=C2)N

Isomeric SMILES

CCC(C)(C(=O)ON1C=CN=C1)SC2=CC=C(C=C2)N

InChI

InChI=1S/C14H17N3O2S/c1-3-14(2,13(18)19-17-9-8-16-10-17)20-12-6-4-11(15)5-7-12/h4-10H,3,15H2,1-2H3