methyl 4-[[2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[allyl(2-thienylsulfonyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[allyl(2-thienylsulfonyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC=C)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC=C)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H20N2O5S2/c1-3-10-20(27(23,24)17-5-4-11-26-17)13-16(21)19-12-14-6-8-15(9-7-14)18(22)25-2/h3-9,11H,1,10,12-13H2,2H3,(H,19,21)