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

Systemtic Name: (2R)-4-(4-ethoxyphenyl)-4-oxidanylidene-2-(thiophen-2-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-(2-thienylmethylammonio)butanoate CAS Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-(thiophen-2-ylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-(thiophen-2-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-p-phenetyl-2-(2-thenylammonio)butyrate Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CS2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CS2

InChI

InChI=1S/C17H19NO4S/c1-2-22-13-7-5-12(6-8-13)16(19)10-15(17(20)21)18-11-14-4-3-9-23-14/h3-9,15,18H,2,10-11H2,1H3,(H,20,21)/t15-/m1/s1