S-[2-(2-tert-butyl-4-methoxy-phenoxy)-1-(octylsulfonylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enethioate

Systemtic Name: S-[2-(2-tert-butyl-4-methoxy-phenoxy)-1-(octylsulfonylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enethioate Openeye Name: S-[2-(2-tert-butyl-4-methoxy-phenoxy)-1-(octylsulfonylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enethioate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenethioic acid S-[2-(2-tert-butyl-4-methoxyphenoxy)-1-(octylsulfonylamino)ethyl] ester IUPAC Name: S-[2-(2-tert-butyl-4-methoxyphenoxy)-1-(octylsulfonylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enethioate Traditional Name: (E)-3-(4-methoxyphenyl)prop-2-enethioic acid S-[2-(2-tert-butyl-4-methoxy-phenoxy)-1-(octylsulfonylamino)ethyl] ester Formula: C31H45NO6S2 MolecularWeight: 591.8221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(COC1=C(C=C(C=C1)OC)C(C)(C)C)SC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC(COC1=C(C=C(C=C1)OC)C(C)(C)C)SC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C31H45NO6S2/c1-7-8-9-10-11-12-21-40(34,35)32-29(39-30(33)20-15-24-13-16-25(36-5)17-14-24)23-38-28-19-18-26(37-6)22-27(28)31(2,3)4/h13-20,22,29,32H,7-12,21,23H2,1-6H3/b20-15+