2-[ethanoylcarbamoyl(2-methylpropyl)amino]-4-ethyl-5-(naphthalen-1-ylmethyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[ethanoylcarbamoyl(2-methylpropyl)amino]-4-ethyl-5-(naphthalen-1-ylmethyl)thiophene-3-carboxylic acid Openeye Name: 2-[acetylcarbamoyl(isobutyl)amino]-4-ethyl-5-(1-naphthylmethyl)thiophene-3-carboxylic acid CAS Name: 2-[[acetamido(oxo)methyl]-(2-methylpropyl)amino]-4-ethyl-5-(1-naphthalenylmethyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[acetylcarbamoyl(2-methylpropyl)amino]-4-ethyl-5-(naphthalen-1-ylmethyl)thiophene-3-carboxylic acid Traditional Name: 2-[acetylcarbamoyl(isobutyl)amino]-4-ethyl-5-(1-naphthylmethyl)-3-thenoic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)O)N(CC(C)C)C(=O)NC(=O)C)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC1=C(SC(=C1C(=O)O)N(CC(C)C)C(=O)NC(=O)C)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H28N2O4S/c1-5-19-21(13-18-11-8-10-17-9-6-7-12-20(17)18)32-23(22(19)24(29)30)27(14-15(2)3)25(31)26-16(4)28/h6-12,15H,5,13-14H2,1-4H3,(H,29,30)(H,26,28,31)