2-azanyl-3-[2-oxidanylidene-2-[(4-propylphenyl)amino]ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-[(4-propylphenyl)amino]ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-oxo-2-(4-propylanilino)ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-(4-propylanilino)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(4-propylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(4-propylanilino)ethyl]thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C14H20N2O3S/c1-2-3-10-4-6-11(7-5-10)16-13(17)9-20-8-12(15)14(18)19/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)(H,18,19)