4-benzamido-5-oxidanylidene-5-propoxy-3-sulfanylidene-pentanoic acid

Systemtic Name: 4-benzamido-5-oxidanylidene-5-propoxy-3-sulfanylidene-pentanoic acid Openeye Name: 4-benzamido-5-oxo-5-propoxy-3-thioxo-pentanoic acid CAS Name: 4-benzamido-5-oxo-5-propoxy-3-sulfanylidenepentanoic acid IUPAC Name: 4-benzamido-5-oxo-5-propoxy-3-sulfanylidenepentanoic acid Traditional Name: 4-benzamido-5-keto-5-propoxy-3-thioxo-valeric acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=S)CC(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCOC(=O)C(C(=S)CC(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H17NO5S/c1-2-8-21-15(20)13(11(22)9-12(17)18)16-14(19)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3,(H,16,19)(H,17,18)