methyl 5-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21NO5S/c1-10-16(19(22)23-4)11(2)20-17(10)18(21)12(3)26-13-5-6-14-15(9-13)25-8-7-24-14/h5-6,9,12,20H,7-8H2,1-4H3/t12-/m1/s1