2-[2-[(4-phenylphenyl)amino]-1-(1,3-thiazol-2-yl)but-3-en-2-yl]benzoic acid

Systemtic Name: 2-[2-[(4-phenylphenyl)amino]-1-(1,3-thiazol-2-yl)but-3-en-2-yl]benzoic acid Openeye Name: 2-[1-(4-phenylanilino)-1-(thiazol-2-ylmethyl)allyl]benzoic acid CAS Name: 2-[2-(4-phenylanilino)-1-(2-thiazolyl)but-3-en-2-yl]benzoic acid IUPAC Name: 2-[2-(4-phenylanilino)-1-(1,3-thiazol-2-yl)but-3-en-2-yl]benzoic acid Traditional Name: 2-[1-(4-phenylanilino)-1-(thiazol-2-ylmethyl)allyl]benzoic acid Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1=NC=CS1)(C2=CC=CC=C2C(=O)O)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C=CC(CC1=NC=CS1)(C2=CC=CC=C2C(=O)O)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-2-26(18-24-27-16-17-31-24,23-11-7-6-10-22(23)25(29)30)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h2-17,28H,1,18H2,(H,29,30)