2-acetamido-2-thiophen-2-yl-ethanoic acid; butane

Systemtic Name: 2-acetamido-2-thiophen-2-yl-ethanoic acid; butane Openeye Name: 2-acetamido-2-(2-thienyl)acetic acid; butane CAS Name: 2-acetamido-2-thiophen-2-ylacetic acid; butane IUPAC Name: 2-acetamido-2-thiophen-2-ylacetic acid; butane Traditional Name: 2-acetamido-2-(2-thienyl)acetic acid; n-butane Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC(=O)NC(C1=CC=CS1)C(=O)O

Isomeric SMILES

CCCC.CC(=O)NC(C1=CC=CS1)C(=O)O

InChI

InChI=1S/C8H9NO3S.C4H10/c1-5(10)9-7(8(11)12)6-3-2-4-13-6;1-3-4-2/h2-4,7H,1H3,(H,9,10)(H,11,12);3-4H2,1-2H3