[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)-prop-2-enylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3S/c1-4-13-26(23-24-20(16-30-23)17-9-6-5-7-10-17)21(27)15-29-22(28)18-11-8-12-19(14-18)25(2)3/h4-12,14,16H,1,13,15H2,2-3H3