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

Systemtic Name: 4-[[5-methyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-methyl-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-methyl-3-[oxo-(phenethylamino)methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-methyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-methyl-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-14-13-18(20(26)23-12-11-15-5-3-2-4-6-15)21(29-14)24-19(25)16-7-9-17(10-8-16)22(27)28/h2-10,13H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)