methyl 3-[4-[(2-aminophenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(2-aminophenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(2-aminoanilino)-4-oxo-butyl]sulfanylpropanoate CAS Name: 3-[[4-(2-aminoanilino)-4-oxobutyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-aminoanilino)-4-oxobutyl]sulfanylpropanoate Traditional Name: 3-[[4-(2-aminoanilino)-4-keto-butyl]thio]propionic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCCC(=O)NC1=CC=CC=C1N

Isomeric SMILES

COC(=O)CCSCCCC(=O)NC1=CC=CC=C1N

InChI

InChI=1S/C14H20N2O3S/c1-19-14(18)8-10-20-9-4-7-13(17)16-12-6-3-2-5-11(12)15/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17)