2-(1-benzothiophen-3-yl)-2-(but-3-enoylamino)ethanoic acid

Systemtic Name: 2-(1-benzothiophen-3-yl)-2-(but-3-enoylamino)ethanoic acid Openeye Name: 2-(benzothiophen-3-yl)-2-(but-3-enoylamino)acetic acid CAS Name: 2-(1-benzothiophen-3-yl)-2-(1-oxobut-3-enylamino)acetic acid IUPAC Name: 2-(1-benzothiophen-3-yl)-2-(but-3-enoylamino)acetic acid Traditional Name: 2-(benzothiophen-3-yl)-2-(but-3-enoylamino)acetic acid Formula: C14H13NO3S MolecularWeight: 275.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NC(C1=CSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C=CCC(=O)NC(C1=CSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H13NO3S/c1-2-5-12(16)15-13(14(17)18)10-8-19-11-7-4-3-6-9(10)11/h2-4,6-8,13H,1,5H2,(H,15,16)(H,17,18)