4-[2-(4-butan-2-ylphenoxy)ethanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-[2-(4-butan-2-ylphenoxy)ethanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-[[2-(4-sec-butylphenoxy)acetyl]amino]thiophene-3-carboxylic acid CAS Name: 4-[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylic acid Traditional Name: 4-[[2-(4-sec-butylphenoxy)acetyl]amino]-3-thenoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CSC=C2C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CSC=C2C(=O)O

InChI

InChI=1S/C17H19NO4S/c1-3-11(2)12-4-6-13(7-5-12)22-8-16(19)18-15-10-23-9-14(15)17(20)21/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21)