ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiophene-3-carboxylate CAS Name: 2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C22H21NO3S2/c1-2-26-22(25)19-16(14-8-4-3-5-9-14)12-28-21(19)23-20(24)17-13-27-18-11-7-6-10-15(17)18/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,23,24)