methyl 3-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(5-amino-2-methoxy-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(5-amino-2-methoxyanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(5-amino-2-methoxy-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)CSCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C13H18N2O4S/c1-18-11-4-3-9(14)7-10(11)15-12(16)8-20-6-5-13(17)19-2/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16)