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

Systemtic Name: ethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C20H23NO5S/c1-5-24-20(23)17-11(2)18(21-12(17)3)19(22)13(4)27-14-6-7-15-16(10-14)26-9-8-25-15/h6-7,10,13,21H,5,8-9H2,1-4H3/t13-/m0/s1