2-chloranyl-5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-chloranyl-5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-chloro-5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-chloro-5-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-chloro-5-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C22H17ClN3O3S- MolecularWeight: 438.90668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)Cl)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)Cl)C(=O)[O-])C

InChI

InChI=1S/C22H18ClN3O3S/c1-3-29-15-7-4-13(5-8-15)18-12(2)30-21-19(18)20(24-11-25-21)26-14-6-9-17(23)16(10-14)22(27)28/h4-11H,3H2,1-2H3,(H,27,28)(H,24,25,26)/p-1