3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-4-(4-methoxyphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)-3-(piperonylcarbamoylamino)-2-thenoic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2NC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2NC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H18N2O6S/c1-27-14-5-3-13(4-6-14)15-10-30-19(20(24)25)18(15)23-21(26)22-9-12-2-7-16-17(8-12)29-11-28-16/h2-8,10H,9,11H2,1H3,(H,24,25)(H2,22,23,26)