[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)COC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)COC(=O)C4=CC=CS4

InChI

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