[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic 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] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-4-10-23(21-22-18(13-27-21)16-8-6-5-7-9-16)19(24)12-26-20(25)17-11-14(2)28-15(17)3/h4-9,11,13H,1,10,12H2,2-3H3