ethyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4O4S/c1-3-30-22(28)20-16(14-8-10-15(29-2)11-9-14)13-31-21(20)23-19(27)12-26-18-7-5-4-6-17(18)24-25-26/h4-11,13H,3,12H2,1-2H3,(H,23,27)