methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]butanoate Openeye Name: methyl 2-[allyl-(2-nitrophenyl)sulfonyl-amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]butanoate Traditional Name: 2-[allyl-(2-nitrophenyl)sulfonyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C15H20N2O6S2 MolecularWeight: 388.4591

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC=C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCSC)N(CC=C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S2/c1-4-10-16(13(9-11-24-3)15(18)23-2)25(21,22)14-8-6-5-7-12(14)17(19)20/h4-8,13H,1,9-11H2,2-3H3