ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-2-26-20(25)18-17(13-6-4-3-5-7-13)22-21(29-18)23-19(24)14-8-9-15-16(12-14)28-11-10-27-15/h3-9,12H,2,10-11H2,1H3,(H,22,23,24)