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

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

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-2-17-12-18(20(26)23-13-14-6-4-3-5-7-14)21(29-17)24-19(25)15-8-10-16(11-9-15)22(27)28/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)(H,27,28)