[4-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]-2-methoxy-phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]-2-methoxy-phenyl] 2-iodanylbenzoate Openeye Name: [4-[(E)-[[(E)-2-benzamido-3-(2-thienyl)prop-2-enoyl]hydrazono]methyl]-2-methoxy-phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(E)-[[(E)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(E)-[[(E)-2-benzamido-3-(2-thienyl)acryloyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C29H22IN3O5S MolecularWeight: 651.47155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC=CS2)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4I

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C29H22IN3O5S/c1-37-26-16-19(13-14-25(26)38-29(36)22-11-5-6-12-23(22)30)18-31-33-28(35)24(17-21-10-7-15-39-21)32-27(34)20-8-3-2-4-9-20/h2-18H,1H3,(H,32,34)(H,33,35)/b24-17+,31-18+