methyl 3-[(3-azanyl-7-ethoxy-thieno[2,3-b]quinolin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(3-azanyl-7-ethoxy-thieno[2,3-b]quinolin-2-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(3-amino-7-ethoxy-thieno[2,3-b]quinoline-2-carbonyl)amino]benzoate CAS Name: 3-[[(3-amino-7-ethoxy-2-thieno[2,3-b]quinolinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-amino-7-ethoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate Traditional Name: 3-[(3-amino-7-ethoxy-thieno[2,3-b]quinoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(=O)OC)N

Isomeric SMILES

CCOC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(=O)OC)N

InChI

InChI=1S/C22H19N3O4S/c1-3-29-15-8-7-12-10-16-18(23)19(30-21(16)25-17(12)11-15)20(26)24-14-6-4-5-13(9-14)22(27)28-2/h4-11H,3,23H2,1-2H3,(H,24,26)