ethyl 2-(benzotriazol-1-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(benzotriazol-1-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(benzotriazol-1-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-benzotriazolylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzotriazol-1-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(benzotriazol-1-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H20N4O2S/c1-2-24-18(23)16-12-7-3-6-10-15(12)25-17(16)19-11-22-14-9-5-4-8-13(14)20-21-22/h4-5,8-9,19H,2-3,6-7,10-11H2,1H3