(2S)-2-azanyl-4-(3-chloranyl-4-ethylsulfonyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-azanyl-4-(3-chloranyl-4-ethylsulfonyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-amino-4-(3-chloro-4-ethylsulfonyl-phenyl)-4-oxo-butanoic acid CAS Name: (2S)-2-amino-4-(3-chloro-4-ethylsulfonylphenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-amino-4-(3-chloro-4-ethylsulfonylphenyl)-4-oxobutanoic acid Traditional Name: (2S)-2-amino-4-(3-chloro-4-esyl-phenyl)-4-keto-butyric acid Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)CC(C(=O)O)N)Cl

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)C[C@@H](C(=O)O)N)Cl

InChI

InChI=1S/C12H14ClNO5S/c1-2-20(18,19)11-4-3-7(5-8(11)13)10(15)6-9(14)12(16)17/h3-5,9H,2,6,14H2,1H3,(H,16,17)/t9-/m0/s1