2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[4-[[(4-phenyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]acetic acid Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(C=C1)C(=O)NCC(=O)O)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C=CCN(CC1=CC=C(C=C1)C(=O)NCC(=O)O)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-12-25(22-24-19(15-29-22)17-6-4-3-5-7-17)14-16-8-10-18(11-9-16)21(28)23-13-20(26)27/h2-11,15H,1,12-14H2,(H,23,28)(H,26,27)