ethyl 2,4-dimethyl-5-[(2S)-2-[2-(2-methylphenyl)sulfanylethanoyloxy]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[2-(2-methylphenyl)sulfanylethanoyloxy]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[2-(o-tolylsulfanyl)acetyl]oxypropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[2-[(2-methylphenyl)thio]-1-oxoethoxy]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[2-(2-methylphenyl)sulfanylacetyl]oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[2-(o-tolylthio)acetyl]oxypropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)CSC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)CSC2=CC=CC=C2C)C

InChI

InChI=1S/C21H25NO5S/c1-6-26-21(25)18-13(3)19(22-14(18)4)20(24)15(5)27-17(23)11-28-16-10-8-7-9-12(16)2/h7-10,15,22H,6,11H2,1-5H3/t15-/m0/s1