ethyl 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(2-benzo[e]benzotriazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3N=C4C=CC5=CC=CC=C5C4=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3N=C4C=CC5=CC=CC=C5C4=N3

InChI

InChI=1S/C21H19N3O2S/c1-2-26-21(25)18-15-9-5-6-10-17(15)27-20(18)24-22-16-12-11-13-7-3-4-8-14(13)19(16)23-24/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3