2-azanyl-3-oxidanylidene-4-[2-(phenylcarbonyl)-3-sulfanyl-phenyl]butanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-4-[2-(phenylcarbonyl)-3-sulfanyl-phenyl]butanoic acid Openeye Name: 2-amino-4-(2-benzoyl-3-sulfanyl-phenyl)-3-oxo-butanoic acid CAS Name: 2-amino-4-(2-benzoyl-3-mercaptophenyl)-3-oxobutanoic acid IUPAC Name: 2-amino-4-(2-benzoyl-3-sulfanylphenyl)-3-oxobutanoic acid Traditional Name: 2-amino-4-(2-benzoyl-3-mercapto-phenyl)-3-keto-butyric acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2S)CC(=O)C(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2S)CC(=O)C(C(=O)O)N

InChI

InChI=1S/C17H15NO4S/c18-15(17(21)22)12(19)9-11-7-4-8-13(23)14(11)16(20)10-5-2-1-3-6-10/h1-8,15,23H,9,18H2,(H,21,22)