2-[(E)-[3-(naphthalen-1-ylmethyl)-5-[2-(pyridin-4-ylcarbonylamino)ethyl]-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid

Systemtic Name: 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-[2-(pyridin-4-ylcarbonylamino)ethyl]-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid Openeye Name: 2-[(E)-[3-(1-naphthylmethyl)-5-[2-(pyridine-4-carbonylamino)ethyl]thiazol-2-ylidene]amino]sulfonylbenzoic acid CAS Name: 2-[(E)-[3-(1-naphthalenylmethyl)-5-[2-[[oxo(pyridin-4-yl)methyl]amino]ethyl]-2-thiazolylidene]amino]sulfonylbenzoic acid IUPAC Name: 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-[2-(pyridine-4-carbonylamino)ethyl]-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid Traditional Name: 2-[(E)-[5-(2-isonicotinamidoethyl)-3-(1-naphthylmethyl)-4-thiazolin-2-ylidene]amino]sulfonylbenzoic acid Formula: C29H24N4O5S2 MolecularWeight: 572.65466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C(SC3=NS(=O)(=O)C4=CC=CC=C4C(=O)O)CCNC(=O)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN\3C=C(S/C3=N/S(=O)(=O)C4=CC=CC=C4C(=O)O)CCNC(=O)C5=CC=NC=C5

InChI

InChI=1S/C29H24N4O5S2/c34-27(21-12-15-30-16-13-21)31-17-14-23-19-33(18-22-8-5-7-20-6-1-2-9-24(20)22)29(39-23)32-40(37,38)26-11-4-3-10-25(26)28(35)36/h1-13,15-16,19H,14,17-18H2,(H,31,34)(H,35,36)/b32-29+