ethyl 2-[2-(benzotriazol-1-yloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(benzotriazol-1-yloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzotriazol-1-yloxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyloxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzotriazol-1-yloxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yloxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CON3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N4O4S/c1-2-26-19(25)17-12-7-3-6-10-15(12)28-18(17)20-16(24)11-27-23-14-9-5-4-8-13(14)21-22-23/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,20,24)