(2S)-2-[(R)-phenylazanyl(thiophen-2-yl)methyl]but-3-enoic acid

Systemtic Name: (2S)-2-[(R)-phenylazanyl(thiophen-2-yl)methyl]but-3-enoic acid Openeye Name: (2S)-2-[(R)-anilino(2-thienyl)methyl]but-3-enoic acid CAS Name: (2S)-2-[(R)-anilino(thiophen-2-yl)methyl]-3-butenoic acid IUPAC Name: (2S)-2-[(R)-anilino(thiophen-2-yl)methyl]but-3-enoic acid Traditional Name: (2S)-2-[(R)-anilino(2-thienyl)methyl]but-3-enoic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1=CC=CS1)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=C[C@@H]([C@H](C1=CC=CS1)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H15NO2S/c1-2-12(15(17)18)14(13-9-6-10-19-13)16-11-7-4-3-5-8-11/h2-10,12,14,16H,1H2,(H,17,18)/t12-,14+/m0/s1