4-[2-[(2-methyl-4-oxidanylidene-pentan-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(2-methyl-4-oxidanylidene-pentan-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(1-acetyl-2-methyl-propyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[(1-acetyl-2-methyl-propyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-9(2)14(10(3)17)16-13(18)8-21-12-6-4-11(5-7-12)15(19)20/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H,19,20)