3-[(4-butylphenyl)carbonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-butylphenyl)carbonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-butylbenzoyl)-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-butylphenyl)-oxomethyl]-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-butylbenzoyl)-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-butylbenzoyl)-methyl-amino]-5-phenyl-2-thenoic acid Formula: C23H23NO3S MolecularWeight: 393.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO3S/c1-3-4-8-16-11-13-18(14-12-16)22(25)24(2)19-15-20(28-21(19)23(26)27)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3,(H,26,27)