(2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-(thiophen-2-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-(thiophen-2-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(2-thienylmethylammonio)butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(thiophen-2-ylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(thiophen-2-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-4-keto-2-(2-thenylammonio)butyrate Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CS2

InChI

InChI=1S/C19H23NO3S/c1-19(2,3)14-8-6-13(7-9-14)17(21)11-16(18(22)23)20-12-15-5-4-10-24-15/h4-10,16,20H,11-12H2,1-3H3,(H,22,23)/t16-/m1/s1