ethyl 3-[2-(benzotriazol-1-yl)ethanoylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(benzotriazol-1-yl)ethanoylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(benzotriazol-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-5-(4-methoxyphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(benzotriazol-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(benzotriazol-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

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