ethyl 4-[[2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(2-thenoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid ethyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O4S2/c1-2-29-23(28)14-9-11-15(12-10-14)24-21(27)19-16-6-3-4-7-17(16)31-22(19)25-20(26)18-8-5-13-30-18/h5,8-13H,2-4,6-7H2,1H3,(H,24,27)(H,25,26)