methyl 2-[(3-chloranylsulfonylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-chloranylsulfonylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-chlorosulfonylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-chlorosulfonylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-chlorosulfonylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-chlorosulfonylbenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H16ClNO5S2 MolecularWeight: 365.85284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C13H16ClNO5S2/c1-20-13(17)11(6-7-21-2)15-12(16)9-4-3-5-10(8-9)22(14,18)19/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)