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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic 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-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-2-11-24(20-23-16(13-28-20)14-7-4-3-5-8-14)17(25)12-27-19(26)15-9-6-10-22-18(15)21/h2-10,13H,1,11-12H2