ethyl 2-[2-(1,3-benzodioxol-5-ylamino)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-ylamino)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19FN2O5S MolecularWeight: 442.460063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19FN2O5S/c1-2-28-22(27)20-16(13-3-5-14(23)6-4-13)11-31-21(20)25-19(26)10-24-15-7-8-17-18(9-15)30-12-29-17/h3-9,11,24H,2,10,12H2,1H3,(H,25,26)