methyl 2-[(E)-[5-(2-azanylethyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]amino]sulfonylbenzoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 2-[(E)-[5-(2-azanylethyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]amino]sulfonylbenzoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 2-[(E)-[5-(2-aminoethyl)-3-(1-naphthylmethyl)thiazol-2-ylidene]amino]sulfonylbenzoate; 2,2,2-trifluoroacetic acid CAS Name: 2-[(E)-[5-(2-aminoethyl)-3-(1-naphthalenylmethyl)-2-thiazolylidene]amino]sulfonylbenzoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 2-[(E)-[5-(2-aminoethyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]amino]sulfonylbenzoate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[(E)-[5-(2-aminoethyl)-3-(1-naphthylmethyl)-4-thiazolin-2-ylidene]amino]sulfonylbenzoic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C26H24F3N3O6S2 MolecularWeight: 595.61047

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N=C2N(C=C(S2)CCN)CC3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)/N=C/2\N(C=C(S2)CCN)CC3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H23N3O4S2.C2HF3O2/c1-31-23(28)21-11-4-5-12-22(21)33(29,30)26-24-27(16-19(32-24)13-14-25)15-18-9-6-8-17-7-2-3-10-20(17)18;3-2(4,5)1(6)7/h2-12,16H,13-15,25H2,1H3;(H,6,7)/b26-24+;