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

Systemtic Name: ethyl 5-[(2S)-2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(2S)-2-benzamido-4-(methylthio)-1-oxobutoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[(2S)-2-benzamido-4-methylsulfanylbutanoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(2S)-2-benzamido-4-(methylthio)butanoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-6-31-24(30)19-14(2)20(25-15(19)3)21(27)16(4)32-23(29)18(12-13-33-5)26-22(28)17-10-8-7-9-11-17/h7-11,16,18,25H,6,12-13H2,1-5H3,(H,26,28)/t16-,18-/m0/s1