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

Systemtic Name: ethyl 5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO5S/c1-2-25-21(24)19-11-14-10-15(5-7-18(14)28-19)22-20(23)8-4-13-3-6-16-17(9-13)27-12-26-16/h3,5-7,9-11H,2,4,8,12H2,1H3,(H,22,23)