4-[(3-ethoxycarbonyl-5-ethyl-4-phenyl-thiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[(3-ethoxycarbonyl-5-ethyl-4-phenyl-thiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 4-[(3-ethoxycarbonyl-5-ethyl-4-phenyl-2-thienyl)carbamoyl]benzoic acid CAS Name: 4-[[(3-ethoxycarbonyl-5-ethyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(3-ethoxycarbonyl-5-ethyl-4-phenylthiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 4-[(3-carbethoxy-5-ethyl-4-phenyl-2-thienyl)carbamoyl]benzoic acid Formula: C23H21NO5S MolecularWeight: 423.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO5S/c1-3-17-18(14-8-6-5-7-9-14)19(23(28)29-4-2)21(30-17)24-20(25)15-10-12-16(13-11-15)22(26)27/h5-13H,3-4H2,1-2H3,(H,24,25)(H,26,27)