ethyl 4-[(3-azanyl-6-ethoxy-thieno[2,3-b]quinolin-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(3-azanyl-6-ethoxy-thieno[2,3-b]quinolin-2-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-amino-6-ethoxy-thieno[2,3-b]quinoline-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-amino-6-ethoxy-2-thieno[2,3-b]quinolinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-amino-6-ethoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-amino-6-ethoxy-thieno[2,3-b]quinoline-2-carbonyl)amino]benzoic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C23H21N3O4S/c1-3-29-16-9-10-18-14(11-16)12-17-19(24)20(31-22(17)26-18)21(27)25-15-7-5-13(6-8-15)23(28)30-4-2/h5-12H,3-4,24H2,1-2H3,(H,25,27)