ethyl 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-5-30-21(27)18-12-7-6-11(2)8-17(12)31-20(18)25-19-13-9-15(28-3)16(29-4)10-14(13)24-22(23)26-19/h9-11H,5-8H2,1-4H3,(H,24,25,26)