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

Systemtic Name: ethyl 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(5-methoxy-2-benzotriazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-3-24-18(22)16-12-6-4-5-7-15(12)25-17(16)21-19-13-9-8-11(23-2)10-14(13)20-21/h8-10H,3-7H2,1-2H3