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

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C19H21NO5S/c1-3-13-10-14(19(22)23-4-2)18(26-13)20-17(21)8-6-12-5-7-15-16(9-12)25-11-24-15/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H,20,21)