ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=CC3=C(C=C2)OCCO3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=CC3=C(C=C2)OCCO3)C)C

InChI

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