methyl 4-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-3-prop-2-enylsulfanyl-butanoate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-3-prop-2-enylsulfanyl-butanoate Openeye Name: methyl 4-[allyl(p-tolylsulfonyl)amino]-3-allylsulfanyl-butanoate CAS Name: 4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-3-(prop-2-enylthio)butanoic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-3-prop-2-enylsulfanylbutanoate Traditional Name: 3-(allylthio)-4-[allyl(tosyl)amino]butyric acid methyl ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(CC(=O)OC)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(CC(=O)OC)SCC=C

InChI

InChI=1S/C18H25NO4S2/c1-5-11-19(14-16(24-12-6-2)13-18(20)23-4)25(21,22)17-9-7-15(3)8-10-17/h5-10,16H,1-2,11-14H2,3-4H3