ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O6S/c1-4-26-20(25)16-11(2)17(18(24)21-3)29-19(16)22-15(23)8-6-12-5-7-13-14(9-12)28-10-27-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,21,24)(H,22,23)