methyl (E)-3-[[2-[(2-azanyl-5-phenoxy-phenyl)disulfanyl]-4-phenoxy-phenyl]amino]but-2-enoate

Systemtic Name: methyl (E)-3-[[2-[(2-azanyl-5-phenoxy-phenyl)disulfanyl]-4-phenoxy-phenyl]amino]but-2-enoate Openeye Name: methyl (E)-3-[2-[(2-amino-5-phenoxy-phenyl)disulfanyl]-4-phenoxy-anilino]but-2-enoate CAS Name: (E)-3-[2-[(2-amino-5-phenoxyphenyl)disulfanyl]-4-phenoxyanilino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-[(2-amino-5-phenoxyphenyl)disulfanyl]-4-phenoxyanilino]but-2-enoate Traditional Name: (E)-3-[2-[(2-amino-5-phenoxy-phenyl)disulfanyl]-4-phenoxy-anilino]but-2-enoic acid methyl ester Formula: C29H26N2O4S2 MolecularWeight: 530.65774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC1=C(C=C(C=C1)OC2=CC=CC=C2)SSC3=C(C=CC(=C3)OC4=CC=CC=C4)N

Isomeric SMILES

C/C(=C\C(=O)OC)/NC1=C(C=C(C=C1)OC2=CC=CC=C2)SSC3=C(C=CC(=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C29H26N2O4S2/c1-20(17-29(32)33-2)31-26-16-14-24(35-22-11-7-4-8-12-22)19-28(26)37-36-27-18-23(13-15-25(27)30)34-21-9-5-3-6-10-21/h3-19,31H,30H2,1-2H3/b20-17+