ethyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[4-[4-(methylthio)phenyl]-1,4-dioxobutoxy]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-keto-4-[4-(methylthio)phenyl]butanoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-6-29-23(28)20-13(2)21(24-14(20)3)22(27)15(4)30-19(26)12-11-18(25)16-7-9-17(31-5)10-8-16/h7-10,15,24H,6,11-12H2,1-5H3/t15-/m0/s1