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

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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