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

Systemtic Name: ethyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-2-28-21(27)15-12-18(14-8-4-3-5-9-14)29-20(15)22-19(26)13-25-17-11-7-6-10-16(17)23-24-25/h3-12H,2,13H2,1H3,(H,22,26)