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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 2,4-bis(oxidanyl)benzoate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 2,4-dihydroxybenzoate CAS Name: 2,4-dihydroxybenzoic 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] 2,4-dihydroxybenzoate Traditional Name: 2,4-dihydroxybenzoic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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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(C=C(C=C3)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-2-10-23(21-22-17(13-29-21)14-6-4-3-5-7-14)19(26)12-28-20(27)16-9-8-15(24)11-18(16)25/h2-9,11,13,24-25H,1,10,12H2