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

Systemtic Name: 2-azanyl-3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(4-ethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(4-ethylanilino)-2-keto-ethyl]thio]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C13H18N2O3S/c1-2-9-3-5-10(6-4-9)15-12(16)8-19-7-11(14)13(17)18/h3-6,11H,2,7-8,14H2,1H3,(H,15,16)(H,17,18)