ethyl 5-[2-(benzotriazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(benzotriazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(benzotriazol-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(benzotriazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(benzotriazol-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H16N4O3S/c1-2-26-19(25)17-10-12-9-13(7-8-16(12)27-17)20-18(24)11-23-15-6-4-3-5-14(15)21-22-23/h3-10H,2,11H2,1H3,(H,20,24)