4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethyl-thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-ethyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O6S/c1-2-16-10-17(21(27)24-11-13-3-8-18-19(9-13)31-12-30-18)22(32-16)25-20(26)14-4-6-15(7-5-14)23(28)29/h3-10H,2,11-12H2,1H3,(H,24,27)(H,25,26)(H,28,29)