ethyl 2-(5-methylbenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(5-methylbenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(5-methylbenzotriazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(5-methyl-2-benzotriazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-methylbenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(5-methylbenzotriazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3N=C4C=CC(=CC4=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3N=C4C=CC(=CC4=N3)C

InChI

InChI=1S/C18H19N3O2S/c1-3-23-18(22)16-12-6-4-5-7-15(12)24-17(16)21-19-13-9-8-11(2)10-14(13)20-21/h8-10H,3-7H2,1-2H3