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

Systemtic Name: ethyl 5-[(2S)-2-[2-(4-methoxyphenyl)sulfanylethanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[2-(4-methoxyphenyl)sulfanylacetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[2-[(4-methoxyphenyl)thio]-1-oxoethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[2-(4-methoxyphenyl)sulfanylacetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[2-[(4-methoxyphenyl)thio]acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)CSC2=CC=C(C=C2)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)CSC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H25NO6S/c1-6-27-21(25)18-12(2)19(22-13(18)3)20(24)14(4)28-17(23)11-29-16-9-7-15(26-5)8-10-16/h7-10,14,22H,6,11H2,1-5H3/t14-/m0/s1