[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-13-22-19(14-5-3-2-4-6-14)20(29-13)21(25)28-12-18(24)23-15-7-8-16-17(11-15)27-10-9-26-16/h2-8,11H,9-10,12H2,1H3,(H,23,24)