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

Systemtic Name: methyl 3-[3-[(2-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-aminoanilino)-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-(2-aminoanilino)-3-oxopropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-aminoanilino)-3-keto-propyl]thio]propionic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-18-13(17)7-9-19-8-6-12(16)15-11-5-3-2-4-10(11)14/h2-5H,6-9,14H2,1H3,(H,15,16)