ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O5S/c1-2-27-21(26)20-19(15-6-4-3-5-7-15)24-22(30-20)23-18(25)11-9-14-8-10-16-17(12-14)29-13-28-16/h3-8,10,12H,2,9,11,13H2,1H3,(H,23,24,25)