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

Systemtic Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19NO5S/c1-10-16(18(21)22-3)11(2)19-17(10)13(20)9-25-12-4-5-14-15(8-12)24-7-6-23-14/h4-5,8,19H,6-7,9H2,1-3H3