ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylamino)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(tetralin-6-carbonylamino)benzothiophene-3-carboxylate CAS Name: 2-[[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(tetralin-6-carbonylamino)benzothiophene-3-carboxylic acid ethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H21NO3S/c1-2-26-22(25)19-17-9-5-6-10-18(17)27-21(19)23-20(24)16-12-11-14-7-3-4-8-15(14)13-16/h5-6,9-13H,2-4,7-8H2,1H3,(H,23,24)