[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)CC

InChI

InChI=1S/C21H23NO6S/c1-4-6-18-13(5-2)7-19(29-18)21(25)26-10-20(24)22-15-9-17-16(27-11-28-17)8-14(15)12(3)23/h7-9H,4-6,10-11H2,1-3H3,(H,22,24)