ethyl 2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H18N2O4S/c1-3-26-20(25)19-12(2)22-21(28-19)23-17(24)10-14-11-27-16-9-8-13-6-4-5-7-15(13)18(14)16/h4-9,11H,3,10H2,1-2H3,(H,22,23,24)