2-(aminomethyl)-3-methyl-6-oxidanyl-5-(3-phenoxyphenyl)-7,7a-dihydro-3aH-thieno[2,3-b]pyridin-4-one

Systemtic Name: 2-(aminomethyl)-3-methyl-6-oxidanyl-5-(3-phenoxyphenyl)-7,7a-dihydro-3aH-thieno[2,3-b]pyridin-4-one Openeye Name: 2-(aminomethyl)-6-hydroxy-3-methyl-5-(3-phenoxyphenyl)-7,7a-dihydro-3aH-thieno[2,3-b]pyridin-4-one CAS Name: 2-(aminomethyl)-6-hydroxy-3-methyl-5-(3-phenoxyphenyl)-7,7a-dihydro-3aH-thieno[2,3-b]pyridin-4-one IUPAC Name: 2-(aminomethyl)-6-hydroxy-3-methyl-5-(3-phenoxyphenyl)-7,7a-dihydro-3aH-thieno[2,3-b]pyridin-4-one Traditional Name: 2-(aminomethyl)-6-hydroxy-3-methyl-5-(3-phenoxyphenyl)-7,7a-dihydro-3aH-thieno[2,3-b]pyridin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2C1C(=O)C(=C(N2)O)C3=CC(=CC=C3)OC4=CC=CC=C4)CN

Isomeric SMILES

CC1=C(SC2C1C(=O)C(=C(N2)O)C3=CC(=CC=C3)OC4=CC=CC=C4)CN

InChI

InChI=1S/C21H20N2O3S/c1-12-16(11-22)27-21-17(12)19(24)18(20(25)23-21)13-6-5-9-15(10-13)26-14-7-3-2-4-8-14/h2-10,17,21,23,25H,11,22H2,1H3