3-[2-cyclopentylethanoyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-cyclopentylethanoyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-(2-cyclopentylacetyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-cyclopentyl-1-oxoethyl)-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-cyclopentylacetyl)-prop-2-enylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl-(2-cyclopentylacetyl)amino]-5-phenyl-2-thenoic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3CCCC3

Isomeric SMILES

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3CCCC3

InChI

InChI=1S/C21H23NO3S/c1-2-12-22(19(23)13-15-8-6-7-9-15)17-14-18(26-20(17)21(24)25)16-10-4-3-5-11-16/h2-5,10-11,14-15H,1,6-9,12-13H2,(H,24,25)