methyl (2S)-4-methylsulfanyl-2-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(4-pyrrol-1-ylbenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(4-pyrrol-1-ylbenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(4-pyrrol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-22-17(21)15(9-12-23-2)18-16(20)13-5-7-14(8-6-13)19-10-3-4-11-19/h3-8,10-11,15H,9,12H2,1-2H3,(H,18,20)/t15-/m0/s1