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

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-methyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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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)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O6S/c1-12-8-16(20(26)23-10-13-2-7-17-18(9-13)30-11-29-17)21(31-12)24-19(25)14-3-5-15(6-4-14)22(27)28/h2-9H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)