methyl 4-methylsulfanyl-2-[methylsulfonyl(prop-2-enyl)amino]benzoate

Systemtic Name: methyl 4-methylsulfanyl-2-[methylsulfonyl(prop-2-enyl)amino]benzoate Openeye Name: methyl 2-[allyl(methylsulfonyl)amino]-4-methylsulfanyl-benzoate CAS Name: 2-[methylsulfonyl(prop-2-enyl)amino]-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[methylsulfonyl(prop-2-enyl)amino]benzoate Traditional Name: 2-[allyl(mesyl)amino]-4-(methylthio)benzoic acid methyl ester Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)SC)N(CC=C)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)SC)N(CC=C)S(=O)(=O)C

InChI

InChI=1S/C13H17NO4S2/c1-5-8-14(20(4,16)17)12-9-10(19-3)6-7-11(12)13(15)18-2/h5-7,9H,1,8H2,2-4H3