(2R)-4-(4-methylphenyl)-4-oxidanylidene-2-(thiophen-2-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-4-oxidanylidene-2-(thiophen-2-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-oxo-4-(p-tolyl)-2-(2-thienylmethylammonio)butanoate CAS Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(thiophen-2-ylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(thiophen-2-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(p-tolyl)-2-(2-thenylammonio)butyrate Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CS2

InChI

InChI=1S/C16H17NO3S/c1-11-4-6-12(7-5-11)15(18)9-14(16(19)20)17-10-13-3-2-8-21-13/h2-8,14,17H,9-10H2,1H3,(H,19,20)/t14-/m1/s1