4-(4-ethoxyphenyl)-2-(pentanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-ethoxyphenyl)-2-(pentanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-ethoxyphenyl)-2-(pentanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(4-ethoxyphenyl)-2-(1-oxopentylamino)-3-thiophenecarboxylic acid IUPAC Name: 4-(4-ethoxyphenyl)-2-(pentanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-p-phenetyl-2-(valerylamino)-3-thenoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OCC)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OCC)C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-3-5-6-15(20)19-17-16(18(21)22)14(11-24-17)12-7-9-13(10-8-12)23-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)(H,21,22)