2-(2-ethylbutanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-(2-ethylbutanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid Openeye Name: 2-(2-ethylbutanoylamino)-4-tetralin-6-yl-thiophene-3-carboxylic acid CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophenecarboxylic acid IUPAC Name: 2-(2-ethylbutanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid Traditional Name: 2-(2-ethylbutanoylamino)-4-tetralin-6-yl-3-thenoic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=CS1)C2=CC3=C(CCCC3)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=CS1)C2=CC3=C(CCCC3)C=C2)C(=O)O

InChI

InChI=1S/C21H25NO3S/c1-3-13(4-2)19(23)22-20-18(21(24)25)17(12-26-20)16-10-9-14-7-5-6-8-15(14)11-16/h9-13H,3-8H2,1-2H3,(H,22,23)(H,24,25)