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

Systemtic Name: ethyl 4-[[2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(2-thienylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(2-thenylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CS4

InChI

InChI=1S/C23H24N2O3S2/c1-2-28-23(27)15-9-11-16(12-10-15)25-21(26)20-18-7-3-4-8-19(18)30-22(20)24-14-17-6-5-13-29-17/h5-6,9-13,24H,2-4,7-8,14H2,1H3,(H,25,26)