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

Systemtic Name: methyl 4-[[2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-(3-pyridinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-29-23(28)16-8-10-17(11-9-16)26-21(27)20-18-6-2-3-7-19(18)30-22(20)25-14-15-5-4-12-24-13-15/h4-5,8-13,25H,2-3,6-7,14H2,1H3,(H,26,27)