3-(2-azanylethyl)-2-chloranyl-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one

Systemtic Name: 3-(2-azanylethyl)-2-chloranyl-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Openeye Name: 3-(2-aminoethyl)-2-chloro-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one CAS Name: 3-(2-aminoethyl)-2-chloro-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one IUPAC Name: 3-(2-aminoethyl)-2-chloro-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Traditional Name: 3-(2-aminoethyl)-2-chloro-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(NC4=C(C3=O)C(=C(S4)Cl)CCN)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(NC4=C(C3=O)C(=C(S4)Cl)CCN)O

InChI

InChI=1S/C21H17ClN2O3S/c22-19-15(9-10-23)17-18(25)16(20(26)24-21(17)28-19)12-5-4-8-14(11-12)27-13-6-2-1-3-7-13/h1-8,11H,9-10,23H2,(H2,24,25,26)