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

Systemtic Name: 4-[[5-ethyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-ethyl-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-ethyl-3-[oxo-(phenethylamino)methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-ethyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-ethyl-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-2-18-14-19(21(27)24-13-12-15-6-4-3-5-7-15)22(30-18)25-20(26)16-8-10-17(11-9-16)23(28)29/h3-11,14H,2,12-13H2,1H3,(H,24,27)(H,25,26)(H,28,29)