methyl (2S)-2-[(2-chloranyl-5-pyrrol-1-yl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-chloranyl-5-pyrrol-1-yl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-chloro-5-pyrrol-1-yl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-chloro-5-(1-pyrrolyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-chloro-5-pyrrol-1-ylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-5-pyrrol-1-yl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3S/c1-23-17(22)15(7-10-24-2)19-16(21)13-11-12(5-6-14(13)18)20-8-3-4-9-20/h3-6,8-9,11,15H,7,10H2,1-2H3,(H,19,21)/t15-/m0/s1