4-[(2-propan-2-ylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-propan-2-ylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-isopropylsulfanylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(propan-2-ylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(isopropylthio)acetyl]amino]methyl]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)SCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-9(2)18-8-12(15)14-7-10-3-5-11(6-4-10)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)