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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic 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] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-2-10-23(20-21-17(14-28-20)15-6-4-3-5-7-15)18(24)13-27-19(25)16-8-11-22(26)12-9-16/h2-9,11-12,14H,1,10,13H2