methyl 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-[[pyridin-4-ylmethyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]-1,3-thiazol-2-ylidene]amino]sulfonylbenzoate

Systemtic Name: methyl 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-[[pyridin-4-ylmethyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]-1,3-thiazol-2-ylidene]amino]sulfonylbenzoate Openeye Name: methyl 2-[(E)-[3-(1-naphthylmethyl)-5-[[4-pyridylmethyl-(2,2,2-trifluoroacetyl)amino]methyl]thiazol-2-ylidene]amino]sulfonylbenzoate CAS Name: 2-[(E)-[3-(1-naphthalenylmethyl)-5-[[pyridin-4-ylmethyl-(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-2-thiazolylidene]amino]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-[[pyridin-4-ylmethyl-(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazol-2-ylidene]amino]sulfonylbenzoate Traditional Name: 2-[(E)-[3-(1-naphthylmethyl)-5-[[4-pyridylmethyl-(2,2,2-trifluoroacetyl)amino]methyl]-4-thiazolin-2-ylidene]amino]sulfonylbenzoic acid methyl ester Formula: C31H25F3N4O5S2 MolecularWeight: 654.67921

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N=C2N(C=C(S2)CN(CC3=CC=NC=C3)C(=O)C(F)(F)F)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)/N=C/2\N(C=C(S2)CN(CC3=CC=NC=C3)C(=O)C(F)(F)F)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H25F3N4O5S2/c1-43-28(39)26-11-4-5-12-27(26)45(41,42)36-30-38(18-23-9-6-8-22-7-2-3-10-25(22)23)20-24(44-30)19-37(29(40)31(32,33)34)17-21-13-15-35-16-14-21/h2-16,20H,17-19H2,1H3/b36-30+