4-(2-acetyloxyphenyl)carbonylsulfanyl-2-azanyl-3-oxidanylidene-pentanoic acid

Systemtic Name: 4-(2-acetyloxyphenyl)carbonylsulfanyl-2-azanyl-3-oxidanylidene-pentanoic acid Openeye Name: 4-(2-acetoxybenzoyl)sulfanyl-2-amino-3-oxo-pentanoic acid CAS Name: 4-[[(2-acetyloxyphenyl)-oxomethyl]thio]-2-amino-3-oxopentanoic acid IUPAC Name: 4-(2-acetyloxybenzoyl)sulfanyl-2-amino-3-oxopentanoic acid Traditional Name: 4-[(2-acetoxybenzoyl)thio]-2-amino-3-keto-valeric acid Formula: C14H15NO6S MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(=O)O)N)SC(=O)C1=CC=CC=C1OC(=O)C

Isomeric SMILES

CC(C(=O)C(C(=O)O)N)SC(=O)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C14H15NO6S/c1-7(12(17)11(15)13(18)19)22-14(20)9-5-3-4-6-10(9)21-8(2)16/h3-7,11H,15H2,1-2H3,(H,18,19)