methyl 3-[3-[(4-azanyl-2-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCC(=O)NC1=C(C=C(C=C1)N)Cl

Isomeric SMILES

COC(=O)CCSCCC(=O)NC1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C13H17ClN2O3S/c1-19-13(18)5-7-20-6-4-12(17)16-11-3-2-9(15)8-10(11)14/h2-3,8H,4-7,15H2,1H3,(H,16,17)