methyl 3-[1-[(2-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-[(2-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-amino-4-chloro-anilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(2-amino-4-chloro-anilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)N)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)N)SCCC(=O)OC

InChI

InChI=1S/C13H17ClN2O3S/c1-8(20-6-5-12(17)19-2)13(18)16-11-4-3-9(14)7-10(11)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)