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

Systemtic Name: methyl 3-[1-[(2-azanyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-amino-4-methoxy-anilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(2-amino-4-methoxyanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-amino-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(2-amino-4-methoxy-anilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-9(21-7-6-13(17)20-3)14(18)16-12-5-4-10(19-2)8-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)