3-[2-cyclopentylethanoyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-cyclopentylethanoyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-cyclopentylacetyl)-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-cyclopentyl-1-oxoethyl)-[(4-nitrophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-cyclopentylacetyl)-[(4-nitrophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-cyclopentylacetyl)-(4-nitrobenzyl)amino]-5-phenyl-2-thenoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H24N2O5S/c28-23(14-17-6-4-5-7-17)26(16-18-10-12-20(13-11-18)27(31)32)21-15-22(33-24(21)25(29)30)19-8-2-1-3-9-19/h1-3,8-13,15,17H,4-7,14,16H2,(H,29,30)